SCHEMBL2578435

SCHEMBL2578435

CCCCCCCCC#Cc1cc(Br)sc1Br

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 2/20 0.44
▸ GPR84 Q9NQS5 1/20 0.38
▸ CYP3A4 P08684 2/20 0.38
▸ TSHR P16473 1/20 0.38
▸ MMP2 P08253 1/20 0.37
▸ MMP12 P39900 1/20 0.37
▸ FFAR1 O14842 1/20 0.35
▸ FFAR4 Q5NUL3 1/20 0.35
▸ CYSLTR2 Q9NS75 1/20 0.34
▸ CYSLTR1 Q9Y271 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ ALOX12 P18054 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ PGK1 P00558 1/20 0.33

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
SCHEMBL2469973 0.78 KCNH2 (0.46) KCNH2GPR84CYP3A4TSHRMMP2
SCHEMBL2578441 0.76 PTPN7 (0.38) KCNH2MMP2MMP12FFAR1FFAR4
SCHEMBL2250565 0.75 GPR84 (0.40) KCNH2GPR84MMP2MMP12FFAR1
SCHEMBL2037684 0.74 KCNH2 (0.44) KCNH2GPR84CYP3A4TSHRMMP2
SCHEMBL27714632 0.74 KCNH2 (0.44) KCNH2GPR84CYP3A4TSHRMMP2
SCHEMBL2367397 0.73 KCNH2 (0.42) KCNH2GPR84CYP3A4TSHRMMP2
SCHEMBL2368829 0.73 KCNH2 (0.42) KCNH2GPR84CYP3A4TSHRMMP2
SCHEMBL2063779 0.72 KCNH2 (0.41) KCNH2GPR84CYP3A4TSHRMMP2
SCHEMBL2063376 0.72 KCNH2 (0.41) KCNH2GPR84CYP3A4TSHRMMP2
SCHEMBL12152489 0.72 KCNH2 (0.41) KCNH2GPR84CYP3A4TSHRMMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1843409-B1 Organic thin film transistor comprising a poly(ethynylthiophene) XEROX CORP (US) 2015-05-13 — — EP disclosed
US-8049205-B2 Poly(alkynylthiophene)s and electronic devices generated therefrom XEROX CORPORATION (US) 2011-11-01 — — US disclosed
US-7705111-B2 Poly(alkynylthiophene)s XEROX CORPORATION (US) 2010-04-27 — — US disclosed
US-20070238852-A1 Poly(alkynylthiophenes)s XEROX CORPORATION 2007-10-11 — — US disclosed
US-20070235719-A1 Poly(alkynylthiophene)s and electronic devices generated therefrom XEROX CORPORATION 2007-10-11 — — US disclosed
EP-1843409-A2 Poly(Alkynylthiophene)s and electronic devices generated therefrom Xerox Corporation (US) 2007-10-10 — — EP disclosed
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