SCHEMBL7905037

SCHEMBL7905037

Sc1nc2ccc3ccccc3c2s1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.41
ALDH1A1 P00352 3/20 0.41
HSD17B10 Q99714 2/20 0.41
CYP2A6 P11509 1/20 0.41
TSHR P16473 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MAPT P10636 5/20 0.40
HPGD P15428 1/20 0.40
HPRT1 P00492 1/20 0.38
LMNA P02545 3/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
KDM4E B2RXH2 2/20 0.36
RECQL P46063 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP1B1 Q16678 5/20 0.36
CYP1A1 P04798 4/20 0.36
HIF1A Q16665 1/20 0.35
APEX1 P27695 1/20 0.34
MAPK1 P28482 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
SCHEMBL29902457 0.77 ALDH1A1 (0.44) CYP3A4ALDH1A1HSD17B10CYP2A6TSHR
SCHEMBL24557000 0.77 CYP3A4 (0.41) CYP3A4ALDH1A1HSD17B10CYP2A6TSHR
SCHEMBL6483920 0.77 ALDH1A1 (0.44) CYP3A4ALDH1A1HSD17B10CYP2A6TSHR
SCHEMBL30503124 0.77 ALDH1A1 (0.59) CYP3A4ALDH1A1HSD17B10CYP2A6TSHR
SCHEMBL4567366 0.77 ALDH1A1 (0.59) CYP3A4ALDH1A1HSD17B10CYP2A6TSHR
SCHEMBL5766497 0.74 KDM4E (0.46) HSD17B10HPGDKDM4ESMN1; SMN2CYP1A2
SCHEMBL20673464 0.74 MAPT (0.44) CYP3A4ALDH1A1HSD17B10CYP2A6TSHR
SCHEMBL24476713 0.74 MAPT (0.46) CYP3A4ALDH1A1HSD17B10CYP2A6TSHR
SCHEMBL25008303 0.74 GPR3 (0.41) CYP3A4ALDH1A1TDP1MAPTHPGD
SCHEMBL24712273 0.73 TLR8 (0.51) CYP3A4ALDH1A1HSD17B10CYP2A6TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-52059185-A None JP disclosed
US-20150287953-A1 TRANSPARENT ELECTRODE, ELECTRONIC DEVICE, AND ORGANIC ELECTROLUMINESCENT ELEMENT Konica Minolta, Inc. (JP) 2015-10-08 US disclosed
US-20150287953-A1 TRANSPARENT ELECTRODE, ELECTRONIC DEVICE, AND ORGANIC ELECTROLUMINESCENT ELEMENT Konica Minolta, Inc. (JP) 2015-10-08 US disclosed
EP-0872903-B1 Method for making hydrogen storage alloy powder and electrode comprising the alloy powder SHINETSU CHEMICAL CO (JP) 2001-10-04 EP disclosed
US-6277519-B1 QUENCHING AN ALLOY MELT; COMMINUTION SHIN-ETSU CHEMICAL CO., LTD. (JP) 2001-08-21 US disclosed
US-6096144-A TREATING WITH ACIDIC OR ALKALINE SOLUTION OF CONJUGATED UNSATURATED COMPOUND WITH AT LEAST 5 BONDS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2000-08-01 US disclosed
US-5858571-A TREATING A PULVERIZED HYDROGEN ABSORBING ALLOY WITH A SOLUTION COMPRISING A CONJUGATED UNSATURATED COMPOUND SHIN-ETSU CHEMICAL CO., LTD. (JP) 1999-01-12 US disclosed
EP-0872903-A1 Method for making hydrogen storage alloy powder and electrode comprising the alloy powder Shin-Etsu Chemical Co., Ltd. (JP) 1998-10-21 EP disclosed
EP-0172427-B1 PROCESS FOR PRODUCTION OF VINYL CHLORIDE POLYMER Shin-Etsu Chemical Co., Ltd. (JP) 1989-07-05 EP disclosed
US-4758639-A Process for production of vinyl polymer SHIN-ETSU CHEMICAL CO., LTD. (JP) 1988-07-19 US disclosed
US-4757124-A Suspension or emulsion polymerizing vinyl chloride monomer or mixture of vinyl chloride with vinyl monomer copolymerizable therewith in reactor with walls coated with antiscaling compound containing dye or pigments SHIN-ETSU CHEMICAL CO., LTD. (JP) 1988-07-12 US disclosed
EP-0172427-A2 Process for production of vinyl chloride polymer Shin-Etsu Chemical Co., Ltd. (JP) 1986-02-26 EP disclosed
JP-S5259185-A PREPARATION OF NOVEL CEPHALOSPORANIC ACID DERIVATIVES TEIJIN LTD 1977-05-16 JP disclosed
US-3946030-A FROM ARYL AMINES, SULFUR, UREA, THIOUREA, CYANAMIDE PHILLIPS PETROLEUM COMPANY (US) 1976-03-23 US disclosed