SCHEMBL465408

SCHEMBL465408

CCc1cc(Cc2ccc(N=C=O)c(CC)c2)ccc1N=C=O

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.47
TSHR P16473 1/20 0.47
GABRA1 P14867 2/20 0.44
GABRB2 P47870 2/20 0.44
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CYP1A2 P05177 1/20 0.39
TRPA1 O75762 1/20 0.38
DHFR P00374 1/20 0.33
BACE1 P56817 1/20 0.33
KMT2A Q03164 1/20 0.31
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31
CA2 P00918 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10635526 0.92 CYP3A4 (0.62) CYP3A4TSHRGABRA1GABRB2ALDH1A1
SCHEMBL16279414 0.91 GABRA1 (0.41) CYP3A4TSHRGABRA1GABRB2ALDH1A1
SCHEMBL11509013 0.91 GABRA1 (0.46) CYP3A4TSHRGABRA1GABRB2ALDH1A1
SCHEMBL16279240 0.87 GABRA1 (0.38) CYP3A4TSHRGABRA1GABRB2ALDH1A1
SCHEMBL1683893 0.85 GABRA1 (0.46) CYP3A4TSHRGABRA1GABRB2ALDH1A1
SCHEMBL16279628 0.85 GABRA1 (0.63) CYP3A4TSHRGABRA1GABRB2ALDH1A1
SCHEMBL894932 0.81 CYP3A4 (0.55) CYP3A4TSHRGABRA1GABRB2ALDH1A1
SCHEMBL2877352 0.81 CYP3A4 (0.67) CYP3A4TSHRGABRA1GABRB2ALDH1A1
SCHEMBL3024606 0.81 CYP3A4 (0.67) CYP3A4TSHRGABRA1GABRB2ALDH1A1
SCHEMBL16417864 0.81 CYP3A4 (0.67) CYP3A4TSHRGABRA1GABRB2ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023167080-A1 ADHESIVE AGENT COMPOSITION, ADHESIVE SHEET CONTAINING SAME, LAYERED BODY, AND PRINTED CIRCUIT BOARD 東洋紡株式会社 2023-09-07 WO disclosed
US-8840559-B2 Organic piezoelectric material, ultrasonic oscillator using the material, method for manufacturing the ultrasonic oscillator, ultrasonic probe, and ultrasonic medical diagnostic imaging device KONICA MINOLTA MEDICAL & GRAPHIC, INC. (JP) 2014-09-23 US disclosed
EP-1533334-B1 Block polymer and antistatic agent comprising the same SANYO CHEMICAL IND LTD (JP) 2012-01-18 EP disclosed
US-20110021916-A1 ORGANIC PIEZOELECTRIC MATERIAL, ULTRASONIC OSCILLATOR USING THE MATERIAL, METHOD FOR MANUFACTURING THE ULTRASONIC OSCILLATOR, ULTRASONIC PROBE, AND ULTRASONIC MEDICAL DIAGNOSTIC IMAGING DEVICE KONICA MINOLTA MEDICAL & GRAPHIC, INC. (JP) 2011-01-27 US disclosed
US-20110021918-A1 ORGANIC PIEZOELECTRIC MATERIAL FILM, METHOD FOR PRODUCTION OF ORGANIC PIEZOELECTRIC MATERIAL FILM, METHOD FOR PRODUCTION OF ULTRASONIC OSCILLATOR, AND ULTRASONIC MEDICAL IMAGING INSTRUMENT KONICA MINOLTA MEDICAL & GRAPHIC INC. (JP) 2011-01-27 US disclosed
US-20110021917-A1 ORGANIC PIEZOELECTRIC MATERIAL FILM, METHOD FOR PRODUCTION OF THE SAME, METHOD FOR PRODUCTION OF ULTRASONIC OSCILLATOR USING THE SAME, AND ULTRASONIC MEDICAL IMAGING INSTRUMENT KONICA MINOLTA MEDICAL & GRAPHIC, INC. (JP) 2011-01-27 US disclosed
US-20110004102-A1 ORGANIC PIEZOELECTRIC MATERIAL, ULTRASONIC OSCILLATOR USING THE SAME, METHOD FOR PRODUCING THE ULTRASONIC OSCILLATOR, ULTRASONIC PROBE AND ULTRASONIC MEDICAL DIAGNOSTIC IMAGING DEVICE KONICA MINOLTA MEDICAL & GRAPHIC, INC. (JP) 2011-01-06 US disclosed
EP-1167425-B1 BLOCK POLYMER AND ANTISTATIC AGENT COMPRISING THE SAME SANYO CHEMICAL IND LTD (JP) 2005-08-03 EP disclosed
EP-1533334-A1 Block polymer and antistatic agent comprising the same Sanyo Chemical Industries, Ltd. (JP) 2005-05-25 EP disclosed
US-6552131-B1 For use as an antistatic agent suited for use in coated or printed moldings SANYO CHEMICAL INDUSTRIES, LTD. (JP) 2003-04-22 US disclosed
EP-0003102-A2 Process for the preparation of polyisocyanates containing sulphonic acid alkylester groups and their use as a starting material for the preparation of polyaddition products BAYER AG (DE) 1979-07-25 EP disclosed
EP-0003097-A1 Process for the preparation of modified polyisocyanates containing sulphonic acid alkylester groups and their use for the preparation of polyaddition products BAYER AG (DE) 1979-07-25 EP disclosed
US-4147653-A Storable mixtures containing aromatic isocyanatosulphonic acids BAYER AKTIENGESELLSCHAFT (DE) 1979-04-03 US disclosed
US-4143062-A STABILIZED PREPARATIONS OF AROMATIC ISOCYANATO SULPHONIC ACIDS BAYER AKTIENGESELLSCHAFT (DE) 1979-03-06 US disclosed
EP-0000722-A1 Process for the preparation of polyurethanes containing arylsulfonic acid alkyl ester groups BAYER AG (DE) 1979-02-21 EP disclosed
EP-0000724-A1 Compounds containing hydroxylic groups and urethane-aryl-sulfonic acid groups, process for their preparation and their use as reaction components for polyisocyanates BAYER AG (DE) 1979-02-21 EP disclosed
EP-0000723-A1 Polyhydroxy compounds containing urethane-aryl-sulfonic acid-hydroxyalkyl ester groups, process for their preparation and their use as reaction components for the preparation of polyurethane resins BAYER AG (DE) 1979-02-21 EP disclosed
EP-0000021-A1 Process for the preparation of sulfonic acid groups and phosphonate groups bearing polyisocyanate mixtures BAYER AG (DE) 1978-12-20 EP disclosed
US-4119658-A REACTING ISOCYANATES WITH SULFUR TRIOXIDE BAYER AKTIENGESELLSCHAFT (DE) 1978-10-10 US disclosed
US-4072649-A Process for the production of foundry cores and molds BAYER AKTIENGESELLSCHAFT (DT) 1978-02-07 US disclosed