SCHEMBL9065855

SCHEMBL9065855

CCCCCc1ccc(N=C=O)cc1N=C=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.51
TRPA1 O75762 1/20 0.51
TDP1 Q9NUW8 2/20 0.39
MAPK1 P28482 1/20 0.39
TYR P14679 3/20 0.38
TSHR P16473 3/20 0.38
ALOX5 P09917 3/20 0.38
MEN1 O00255 1/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
ALOX15 P16050 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
GABRA1 P14867 1/20 0.35
GABRB2 P47870 1/20 0.35
PRSS1 P07477 1/20 0.34
ACR P10323 1/20 0.34
CHUK O15111 1/20 0.34
DAPK3 O43293 1/20 0.34
JAK2 O60674 1/20 0.34

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
SCHEMBL9131575 0.98 CYP3A4 (0.50) CYP3A4TRPA1TDP1MAPK1TYR
SCHEMBL29913934 0.98 CYP3A4 (0.50) CYP3A4TRPA1TDP1MAPK1TYR
SCHEMBL9132587 0.98 CYP3A4 (0.50) CYP3A4TRPA1TDP1MAPK1TYR
SCHEMBL9129475 0.95 CYP3A4 (0.53) CYP3A4TRPA1TDP1MAPK1TYR
SCHEMBL5731786 0.89 CYP3A4 (0.56) CYP3A4TRPA1TDP1MAPK1TSHR
SCHEMBL29620419 0.89 CYP3A4 (0.55) CYP3A4TRPA1TDP1MAPK1TSHR
SCHEMBL29620420 0.89 CYP3A4 (0.55) CYP3A4TRPA1TDP1MAPK1TSHR
SCHEMBL9318919 0.86 CYP3A4 (0.46) CYP3A4TRPA1TDP1MAPK1TYR
SCHEMBL314237 0.83 CYP3A4 (0.61) CYP3A4TRPA1TDP1MAPK1TSHR
SCHEMBL29376372 0.83 CYP3A4 (0.61) CYP3A4TRPA1TDP1MAPK1TSHR

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5523443-A PROTECTIVE COATINGS CASCHEM, INC. (US) 1996-06-04 US disclosed
EP-0441416-B1 Resin composition containing low-molecular weight compounds which form a polyester urethane hybrid network DSM NV (NL) 1995-12-06 EP disclosed
EP-0530302-B1 COMPOSITION TO BE USED IN THE RESIN INJECTION MOULDING TECHNIQUE, CONTAINING LOW MOLECULAR WEIGHT COMPOUNDS JOINTLY FORMING A HYBRID NETWORK DSM NV (NL) 1995-11-15 EP disclosed
US-5426132-A Alkoxysilyl-urethane acrylate with two curing mechanisms, one activated by exposure to ultraviolet radiation, second by exposure to moisture CASCHEM, INC. (US) 1995-06-20 US disclosed
US-5369176-A Composition to be used in the resin injection molding technique, containing low molecular weight compounds jointly forming a hybrid network DSM N.V. (NL) 1994-11-29 US disclosed
US-5312943-A Protective coatings CASCHEM, INC. (US) 1994-05-17 US disclosed
WO-1994009013-A1 DUAL CURING CONFORMAL COATINGS CASCHEM, INC. (US) 1994-04-28 WO disclosed
EP-0538923-A2 Process for the preparation of a thermosetting elongated object DSM N.V. (NL) 1993-04-28 EP disclosed
EP-0530302-A1 COMPOSITION TO BE USED IN THE RESIN INJECTION MOULDING TECHNIQUE, CONTAINING LOW MOLECULAR WEIGHT COMPOUNDS JOINTLY FORMING A HYBRID NETWORK. DSM NV (NL) 1993-03-10 EP disclosed
WO-1991018033-A1 COMPOSITION TO BE USED IN THE RESIN INJECTION MOULDING TECHNIQUE, CONTAINING LOW MOLECULAR WEIGHT COMPOUNDS JOINTLY FORMING A HYBRID NETWORK DSM N.V. (NL) 1991-11-28 WO disclosed
US-4824919-A ENDCAPPED POLYETHERS, ACRYLATED RESINS; FLEXIBILITY, LIGHTWEIGHT, CHEMICAL RESISTANCE THE DOW CHEMICAL COMPANY (US) 1989-04-25 US disclosed
US-4204010-A Radiation curable, ethylenically unsaturated thixotropic agent and method of preparation W. R. GRACE & CO. (US) 1980-05-20 US disclosed
US-4130213-A OLEFIN-MALEIC ANHYDRIDE COPOLYMER, THIOL PLASTICIZER W. R. GRACE & CO. (US) 1978-12-19 US disclosed
US-4120721-A ACRYLIC OR METHACRYLIC TERMINATED, URETHANE CONTAINING POLYENE; WATER INSOLUBLE VINYL MONOMER DILUENT; POLYTHIOL; PHOTOINITIATOR W. R. GRACE & CO. (US) 1978-10-17 US disclosed
US-4112233-A Hydantoin-containing polyene compositions W. R. GRACE & CO. (US) 1978-09-05 US disclosed
US-4093098-A COPOLYMER OF ALPHA-OLEFIN AND MALEIC ANHYDRIDE PLUS ISOCYANATE COPOLYMER W. R. GRACE & CO. (US) 1978-06-06 US disclosed
US-4093097-A COPOLYMER OF ALPHA-OLEFIN AND MALEIC ANHYDRIDE PLUS AN AMINE COPOLYMER W. R. GRACE & CO. (US) 1978-06-06 US disclosed