SCHEMBL428208

SCHEMBL428208

c1ccc(Cc2ccc3c(c2)sc2c4ccccc4sc32)cc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 1/20 0.42
CALM1 P0DP23 1/20 0.41
MAPT P10636 2/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PTPN1 P18031 5/20 0.39
PTPN2 P17706 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
GPR3 P46089 1/20 0.39
EGFR P00533 1/20 0.38
ROCK1 Q13464 1/20 0.38
THRB P10828 1/20 0.37
F9 P00740 1/20 0.37
F10 P00742 1/20 0.37
HNF4A P41235 1/20 0.37
FEN1 P39748 1/20 0.36

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
SCHEMBL19155362 0.89 GPR3 (0.52) IDH1CALM1MAPTALDH1A1HPGD
SCHEMBL22762127 0.81 CYP1A1 (0.42) IDH1CALM1ROCK1
SCHEMBL17037073 0.81 ALDH1A1 (0.42) MAPTALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL10073469 0.81 KIF11 (0.46) MAPTALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL25444278 0.80 MAOA (0.42) MAPTALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL19117605 0.79 GPR3 (0.52) IDH1CALM1MAPTALDH1A1HPGD
SCHEMBL22183031 0.79 ALDH1A1 (0.41) IDH1CALM1MAPTALDH1A1HPGD
SCHEMBL21778829 0.78 ROCK1 (0.38) IDH1CALM1MAPTALDH1A1HPGD
SCHEMBL25444302 0.77 MAOA (0.40) MAPTALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL24631919 0.76 ALDH1A1 (0.42) MAPTALDH1A1HPGDRAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130146858-A1 SEMICONDUCTORS BASED ON SUBSTITUTED [1]BENZOTHIENO[3,2-b][1]-BENZOTHIOPHENES Heraeuss Precious Metals Metals GmbH & Co., KG (DE) 2013-06-13 US disclosed
EP-2595992-A1 SEMICONDUCTORS BASED ON SUBSTITUTED [1]BENZOTHIENO[3,2-b][1]-BENZOTHIOPHENES Heraeus Precious Metals GmbH & Co. KG (DE) 2013-05-29 EP disclosed
WO-2012010292-A1 SEMICONDUCTORS BASED ON SUBSTITUTED [1]BENZOTHIENO[3,2-b] [1]-BENZOTHIOPHENES HERAEUS CLEVIOS GMBH (DE) 2012-01-26 WO disclosed