SCHEMBL470179

SCHEMBL470179

O=Cc1cc(I)sc1C=O

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 2/20 0.34
ALDH1A1 P00352 1/20 0.32
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
THRB P10828 1/20 0.31
BLM P54132 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL4973329 0.74
SCHEMBL4442166 0.71 ERN1 (0.39) ERN1ALDH1A1MEN1LMNATHRB
SCHEMBL14063042 0.71 ERN1 (0.34) ERN1ALDH1A1MEN1LMNATHRB
SCHEMBL15220268 0.71 ERN1 (0.38) ERN1ALDH1A1MEN1LMNATHRB
SCHEMBL8010579 0.70 ERN1 (0.38) ERN1ALDH1A1MEN1LMNATHRB
SCHEMBL10048742 0.65
SCHEMBL31005049 0.62 ERN1 (0.48) ERN1ALDH1A1MEN1LMNATHRB
SCHEMBL2583566 0.62 CYP2A6 (0.47)
SCHEMBL16515585 0.62 DPP4 (0.50) ERN1ALDH1A1MEN1LMNABLM
SCHEMBL12320912 0.60

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9306172-B2 Anthra[2,3-b:7,6-b']dithiophene derivatives and their use as organic semiconductors MERCK PATENT GMBH (DE) 2016-04-05 US disclosed
US-9306172-B2 Anthra[2,3-b:7,6-b']dithiophene derivatives and their use as organic semiconductors MERCK PATENT GMBH (DE) 2016-04-05 US disclosed
US-9306172-B2 Anthra[2,3-b:7,6-b']dithiophene derivatives and their use as organic semiconductors MERCK PATENT GMBH (DE) 2016-04-05 US disclosed
US-20130161568-A1 Anthra[2,3-b:7,6-b']dithiophene Derivatives and their Use as Organic Semiconductors MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-06-27 US disclosed
US-20130161568-A1 Anthra[2,3-b:7,6-b']dithiophene Derivatives and their Use as Organic Semiconductors MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-06-27 US disclosed
EP-2603499-A2 ANTHRA[2,3-B:7,6-B']DITHIOPHENE DERIVATIVES AND THEIR USE AS ORGANIC SEMICONDUCTORS Merck Patent GmbH (DE) 2013-06-19 EP disclosed
US-20130146818-A1 Anthra[2,3-b:7,6-b']dithiophene Derivatives and their Use as Organic Semiconductors MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-06-13 US disclosed
US-20130146818-A1 Anthra[2,3-b:7,6-b']dithiophene Derivatives and their Use as Organic Semiconductors MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-06-13 US disclosed
US-20130146818-A1 Anthra[2,3-b:7,6-b']dithiophene Derivatives and their Use as Organic Semiconductors MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-06-13 US disclosed
CN-103068811-A Anthracene [2,3-b:7,6-b' ] dithiophene derivatives and their use as organic semiconductors MERCK PATENT GMBH 2013-04-24 CN disclosed
WO-2012031659-A1 ANTHRA[2,3-B:7,6B']DITHIOPHENE DERIVATIVES AND THEIR USE AS ORGANIC SEMICONDUCTORS MERCK PATENT GMBH (DE) 2012-03-15 WO disclosed
WO-2012019683-A2 ANTHRA[2,3-B:7,6-B']DITHIOPHENE DERIVATIVES AND THEIR USE AS ORGANIC SEMICONDUCTORS MERCK PATENT GMBH (DE) 2012-02-16 WO disclosed
WO-2012019683-A2 ANTHRA[2,3-B:7,6-B']DITHIOPHENE DERIVATIVES AND THEIR USE AS ORGANIC SEMICONDUCTORS MERCK PATENT GMBH (DE) 2012-02-16 WO disclosed