SCHEMBL2250565

SCHEMBL2250565

CCCCCCCCC#Cc1c2cc(Br)sc2c(C#CCCCCCCCC)c2cc(Br)sc12

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ GPR84 Q9NQS5 1/20 0.40
▸ KCNH2 Q12809 2/20 0.39
▸ MMP2 P08253 1/20 0.35
▸ MMP12 P39900 1/20 0.35
▸ FFAR1 O14842 1/20 0.33
▸ FFAR4 Q5NUL3 1/20 0.33
▸ NPC1 O15118 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ RAB9A P51151 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
SCHEMBL2578435 0.75 KCNH2 (0.44) GPR84KCNH2MMP2MMP12FFAR1
SCHEMBL30770107 0.73 KCNH2 (0.51) GPR84KCNH2MMP2MMP12FFAR1
SCHEMBL2368429 0.72 KCNH2 (0.47) GPR84KCNH2MMP2MMP12FFAR1
SCHEMBL2249869 0.72 KCNH2 (0.44) GPR84KCNH2MMP2MMP12FFAR1
SCHEMBL3470569 0.72 KCNH2 (0.44) GPR84KCNH2MMP2MMP12FFAR1
SCHEMBL12622749 0.72 KCNH2 (0.44) GPR84KCNH2MMP2MMP12FFAR1
SCHEMBL2469973 0.72 KCNH2 (0.46) GPR84KCNH2MMP2MMP12FFAR1
SCHEMBL3875266 0.71 KCNH2 (0.40) GPR84KCNH2MMP2MMP12FFAR1
SCHEMBL991738 0.69 GPR35 (0.43) —
SCHEMBL3842117 0.69 GPR35 (0.43) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7994497-B2 Poly[bis(ethynyl)heteroacene]s and electronic devices generated therefrom XEROX CORPORATION (US) 2011-08-09 — — US disclosed
US-20090039344-A1 POLY[BIS(ETHYNYL)HETEROACENE]S AND ELECTRONIC DEVICES GENERATED THEREFROM XEROX CORPORATION (US) 2009-02-12 — — US disclosed
US-7449715-B2 Poly[bis(ethynyl)heteroacene]s and electronic devices generated therefrom XEROX CORPORATION (US) 2008-11-11 — — US disclosed
US-20070235726-A1 Poly[bis(ethynyl)heteroacene]s and electronic devices generated therefrom XEROX CORPORATION 2007-10-11 — — US disclosed
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