SCHEMBL433462

SCHEMBL433462

O=C(c1ccccc1)c1ccc2c(c1)sc1c3ccccc3sc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
ALDH1A1 P00352 1/20 0.45
SRD5A2 P31213 1/20 0.44
MAOB P27338 4/20 0.43
PTPN2 P17706 1/20 0.43
PTPN1 P18031 1/20 0.43
MAOA P21397 1/20 0.43
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43
MEN1 O00255 2/20 0.42
RAB9A P51151 2/20 0.42
KMT2A Q03164 2/20 0.42
NPC1 O15118 1/20 0.42
CYP1A2 P05177 1/20 0.42
GABRA1 P14867 1/20 0.42
GABRA5 P31644 1/20 0.42
PBRM1 Q86U86 1/20 0.42
CASP3 P42574 1/20 0.41

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
SCHEMBL29012609 0.86 KDM4E (0.47) ATMTDP1L3MBTL1ALDH1A1SRD5A2
SCHEMBL15041003 0.84 GPR3 (0.54) ATMTDP1L3MBTL1ALDH1A1MAOB
SCHEMBL15024214 0.82 MAPT (0.51) L3MBTL1ALDH1A1MAOBPTPN2PTPN1
SCHEMBL1576859 0.80 CYP1A2 (0.63) ATMTDP1L3MBTL1ALDH1A1SRD5A2
SCHEMBL2486863 0.77 KDM4E (0.46) TDP1L3MBTL1ALDH1A1SRD5A2PTPN1
SCHEMBL11249253 0.76 CYP1A2 (0.54) TDP1L3MBTL1ALDH1A1PTPN1RAB9A
SCHEMBL29762008 0.76 CYP1A2 (0.54) TDP1L3MBTL1ALDH1A1PTPN1RAB9A
SCHEMBL30776760 0.75 ATM (0.64) ATMTDP1L3MBTL1ALDH1A1SRD5A2
SCHEMBL30776759 0.75 ATM (0.64) ATMTDP1L3MBTL1ALDH1A1SRD5A2
SCHEMBL11244432 0.75 CYP1A2 (0.53) TDP1L3MBTL1ALDH1A1PTPN1RAB9A

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