SCHEMBL4758779

SCHEMBL4758779

[CH2]CSc1nc2ccccc2s1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.73
CYP2D6 P10635 3/20 0.73
CYP2C19 P33261 3/20 0.73
CYP3A4 P08684 2/20 0.73
L3MBTL1 Q9Y468 2/20 0.73
MAPK1 P28482 2/20 0.73
HIF1A Q16665 1/20 0.73
CYP2C9 P11712 1/20 0.65
STAT6 P42226 1/20 0.65
ALDH1A1 P00352 7/20 0.63
HSD17B10 Q99714 5/20 0.63
HPGD P15428 3/20 0.63
FBP1 P09467 2/20 0.63
ADRA2A P08913 1/20 0.63
ADORA3 P0DMS8 1/20 0.63
DRD2 P14416 1/20 0.63
ALOX15 P16050 1/20 0.63
ADRA2B P18089 1/20 0.63
ADRA2C P18825 1/20 0.63
DRD1 P21728 1/20 0.63

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
SCHEMBL8414134 0.86 CYP1A2 (0.80) CYP1A2CYP2D6CYP2C19CYP3A4L3MBTL1
SCHEMBL5837665 0.85 CYP1A2 (1.00) CYP1A2CYP2D6CYP2C19CYP3A4L3MBTL1
SCHEMBL8412717 0.83 CYP1A2 (0.75) CYP1A2CYP2D6CYP2C19CYP3A4L3MBTL1
SCHEMBL9183570 0.81 CYP1A2 (0.73) CYP1A2CYP2D6CYP2C19CYP3A4L3MBTL1
SCHEMBL21675444 0.81 CYP1A2 (0.75) CYP1A2CYP2D6CYP2C19CYP3A4L3MBTL1
SCHEMBL29138950 0.81 CYP1A2 (0.73) CYP1A2CYP2D6CYP2C19CYP3A4L3MBTL1
SCHEMBL774785 0.81 CYP1A2 (0.73) CYP1A2CYP2D6CYP2C19CYP3A4L3MBTL1
SCHEMBL7155586 0.81 CYP1A2 (0.73) CYP1A2CYP2D6CYP2C19CYP3A4L3MBTL1
SCHEMBL818985 0.81 CYP1A2 (0.67) CYP1A2CYP2D6CYP2C19CYP3A4L3MBTL1
SCHEMBL6141647 0.80 CYP1A2 (0.83) CYP1A2CYP2D6CYP2C19CYP3A4L3MBTL1

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
CN-111575096-B Antirust gearbox engine oil and preparation method thereof 山东零公里润滑科技有限公司 2022-09-16 CN claimed
WO-2007017728-A2 NOVEL HETEROCYCLIC COMPOUNDS ORCHID RESEARCH LABORATORIES LIMITED (IN) 2007-02-15 WO claimed
US-7045558-B2 Method of making a high refractive index optical management coating and the coating GENERAL ELECTRIC COMPANY (US) 2006-05-16 US claimed
US-4772602-A VASODILATION, HYPOTENSIVE SUNTORY LIMITED (JP) 1988-09-20 US claimed
CN-111575096-B Antirust gearbox engine oil and preparation method thereof 山东零公里润滑科技有限公司 2022-09-16 CN disclosed
CN-111575096-A Antirust gearbox engine oil and preparation method thereof 许卫明 2020-08-25 CN disclosed
US-20080145545-A1 METAL OXIDE AND SULFUR-CONTAINING COATING COMPOSITIONS, METHODS OF USE, AND ARTICLES PREPARED THEREFROM CITIBANK, N.A., AS COLLATERAL AGENT 2008-06-19 US disclosed
WO-2008073534-A1 METAL OXIDE AND SULFUR-CONTAINING COATING COMPOSITIONS, METHODS OF USE, AND ARTICLES PREPARED THEREFROM GENERAL ELECTRIC COMPANY (US) 2008-06-19 WO disclosed
EP-1849465-A1 AGENT FOR CONTROLLING FUNCTION OF GPR34 RECEPTOR Takeda Pharmaceutical Company Limited (JP) 2007-10-31 EP disclosed
WO-2007017728-A2 NOVEL HETEROCYCLIC COMPOUNDS ORCHID RESEARCH LABORATORIES LIMITED (IN) 2007-02-15 WO disclosed
EP-1512704-A1 High refractive index, UV-curable monomers and coating compositions prepared therefrom GENERAL ELECTRIC COMPANY (US) 2005-03-09 EP disclosed
US-5859030-A Substituted arylalkylthioalkylthiopyridines for use in the control of helicobacter bacteria BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1999-01-12 US disclosed
EP-0764161-A1 SUBSTITUTED ARYLALKYLTHIOALKYLTHIOPYRIDINES FOR USE IN THE CONTROL OF HELICOBACTER BACTERIA Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1997-03-26 EP disclosed
WO-1995034554-A1 SUBSTITUTED ARYLALKYLTHIOALKYLTHIOPYRIDINES FOR USE IN THE CONTROL OF HELICOBACTER BACTERIA BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1995-12-21 WO disclosed