SCHEMBL10653113

SCHEMBL10653113

CCCSc1scc(-c2ccc(Cl)cc2)c1C#N

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.41
GRIA4 P48058 1/20 0.40
ALOX5 P09917 1/20 0.39
PTGS2 P35354 1/20 0.39
NPSR1 Q6W5P4 5/20 0.39
MAPT P10636 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
KDM4E B2RXH2 6/20 0.39
HTT P42858 1/20 0.39
HPGD P15428 4/20 0.38
LMNA P02545 2/20 0.38
PPARG P37231 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
STAT3 P40763 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
NR2E3 Q9Y5X4 1/20 0.38
NCOR2 Q9Y618 1/20 0.38
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2C9 P11712 2/20 0.37

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
SCHEMBL10656232 0.90 ALOX5 (0.40) ALDH1A1GRIA4ALOX5PTGS2NPSR1
SCHEMBL10655134 0.82 KDM4E (0.43) ALDH1A1GRIA4ALOX5PTGS2NPSR1
SCHEMBL10654581 0.74 KDM4E (0.51) ALDH1A1ALOX5PTGS2NPSR1MAPT
SCHEMBL10653153 0.72 ALOX5 (0.42) ALDH1A1GRIA4ALOX5PTGS2NPSR1
SCHEMBL10655996 0.72 ALOX5 (0.39) ALDH1A1GRIA4ALOX5PTGS2NPSR1
SCHEMBL10654580 0.71 CYP2A6 (0.40) ALDH1A1GRIA4NPSR1MAPTKDM4E
SCHEMBL4259769 0.71 PRKCZ (0.56) ALDH1A1ALOX5PTGS2NPSR1MAPT
SCHEMBL16792215 0.71 GRIA4 (0.61) GRIA4NPSR1MAPTL3MBTL1FNTA
SCHEMBL16792140 0.70 GRIA4 (0.64) GRIA4NPSR1MAPTL3MBTL1FNTA
SCHEMBL10654927 0.70 KDM4E (0.40) ALDH1A1ALOX5PTGS2NPSR1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0273602-A1 3-Cyano-4-arylthiophenes ELI LILLY AND COMPANY (US) 1988-07-06 EP disclosed