SCHEMBL457633

SCHEMBL457633

c1cc2cc3cc4cc5ccsc5cc4cc3cc2s1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.46
DYRK1A Q13627 1/20 0.42
PTPRC P08575 1/20 0.37
PTPN6 P29350 1/20 0.37
PTPN11 Q06124 1/20 0.37
PTPN22 Q9Y2R2 1/20 0.37
CTNNB1 P35222 2/20 0.36
WNT3A P56704 2/20 0.36
CA2 P00918 7/20 0.35
CA12 O43570 6/20 0.35
GPR35 Q9HC97 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TP53 P04637 1/20 0.32
NFKB1 P19838 1/20 0.32
RAB9A P51151 1/20 0.32
NFKB2 Q00653 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL2344449 1.00 CYP2A6 (0.46) CYP2A6DYRK1APTPRCPTPN6PTPN11
SCHEMBL29733472 1.00 CYP2A6 (0.46) CYP2A6DYRK1APTPRCPTPN6PTPN11
SCHEMBL29733470 1.00 CYP2A6 (0.46) CYP2A6DYRK1APTPRCPTPN6PTPN11
SCHEMBL14041414 1.00 CYP2A6 (0.46) CYP2A6DYRK1APTPRCPTPN6PTPN11
SCHEMBL13572445 1.00 CYP2A6 (0.46) CYP2A6DYRK1APTPRCPTPN6PTPN11
SCHEMBL2367900 1.00 CYP2A6 (0.46) CYP2A6DYRK1APTPRCPTPN6PTPN11
SCHEMBL164774 0.94 CYP2A6 (0.50) CYP2A6DYRK1APTPRCPTPN6PTPN11
SCHEMBL12402980 0.92 CYP2A6 (0.42) CYP2A6DYRK1APTPRCPTPN6PTPN11
SCHEMBL1041559 0.91 CYP2A6 (0.48) CYP2A6DYRK1APTPRCPTPN6PTPN11
SCHEMBL1774665 0.90 CYP2A6 (0.41) CYP2A6DYRK1APTPRCPTPN6PTPN11

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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
WO-2015137304-A1 COMPOUND, ORGANIC SEMICONDUCTOR MATERIAL CONTAINING SAME, ORGANIC SEMICONDUCTOR INK, AND ORGANIC TRANSISTOR DIC株式会社 2015-09-17 WO disclosed
CN-103068811-B Anthracene [2,3-b:7,6-b' ] dithiophene derivatives and their use as organic semiconductors MERCK PATENT GMBH 2015-06-24 CN disclosed
CN-103068811-B Anthracene [2,3-b:7,6-b' ] dithiophene derivatives and their use as organic semiconductors MERCK PATENT GMBH 2015-06-24 CN disclosed
JP-2013544755-A 2013-12-19 JP disclosed
JP-2013540697-A 2013-11-07 JP disclosed
EP-2614068-A1 ANTHRA[2,3-B:7,6B']DITHIOPHENE DERIVATIVES AND THEIR USE AS ORGANIC SEMICONDUCTORS Merck Patent GmbH (DE) 2013-07-17 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
CN-103154007-A Anthra[2,3-b:7,6b']dithiophene derivatives and their use as organic semiconductors MERCK PATENT GMBH 2013-06-12 CN 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
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-2012019683-A3 ANTHRA[2,3-B:7,6-B']DITHIOPHENE DERIVATIVES AND THEIR USE AS ORGANIC SEMICONDUCTORS MERCK PATENT GMBH (DE) 2012-04-19 WO 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-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
US-20070257251-A1 ACENE COMPOSITIONS AND AN APPARATUS HAVING SUCH COMPOSITIONS LUCENT TECHNOLOGIES INC. (US) 2007-11-08 US disclosed