SCHEMBL8619694

SCHEMBL8619694

CCCC=Cc1ccc(C#Cc2cnc(C#N)nc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 1/20 0.32
▸ GRM5 P41594 1/20 0.32
▸ KDM4E B2RXH2 2/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ HPGD P15428 2/20 0.31
▸ HTT P42858 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ MAPT P10636 2/20 0.30
▸ SMN1; SMN2 Q16637 2/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ POLB P06746 1/20 0.30
▸ GAA P10253 1/20 0.30
▸ PKM P14618 1/20 0.30
▸ RAB9A P51151 1/20 0.30

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
SCHEMBL8619692 1.00 FFAR1 (0.32) FFAR1GRM5KDM4EALDH1A1HPGD
SCHEMBL8621680 0.84 CYP2A6 (0.35) GRM5KDM4EALDH1A1HPGDHTT
SCHEMBL8621684 0.84 CYP2A6 (0.35) GRM5KDM4EALDH1A1HPGDHTT
SCHEMBL8623117 0.84 CYP2A6 (0.41) FFAR1KDM4EALDH1A1L3MBTL1MAPT
SCHEMBL8623114 0.84 CYP2A6 (0.41) FFAR1KDM4EALDH1A1L3MBTL1MAPT
SCHEMBL8622912 0.82 FFAR1 (0.43) FFAR1
SCHEMBL8622908 0.82 FFAR1 (0.43) FFAR1
SCHEMBL8618082 0.81 ACACB (0.46) —
SCHEMBL8618078 0.81 ACACB (0.46) —
SCHEMBL9048231 0.75 FFAR1 (0.37) FFAR1

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
EP-0648723-B1 Diphenylacetylene compound, process for preparing the same and liquid crystal composition and element comprising the same SUMITOMO CHEMICAL CO (JP) 1998-05-20 — — EP disclosed
US-5658489-A EXCELLENT ANISOTROPY OF REFRACTIVE INDEX; LOW VISCOSITY SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-08-19 — — US disclosed
EP-0648723-A1 Diphenylacetylene compound, process for preparing the same and liquid crystal composition and element comprising the same SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1995-04-19 — — EP disclosed
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