SCHEMBL9019299

SCHEMBL9019299

CCCCCc1ccc(C#N)[nH]1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 10/20 0.50
HIF1A Q16665 3/20 0.49
EPAS1 Q99814 3/20 0.49
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CTSV O60911 1/20 0.40
CTSL P07711 1/20 0.40
PARP1 P09874 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL490816 0.80 HIF1A (0.62) GPR84HIF1AEPAS1MAPTHTT
SCHEMBL17156491 0.78 HIF1A (0.66) GPR84HIF1AEPAS1MAPTHTT
SCHEMBL891143 0.78 HIF1A (0.66) GPR84HIF1AEPAS1MAPTHTT
SCHEMBL890821 0.78 HIF1A (0.66) GPR84HIF1AEPAS1MAPTHTT
SCHEMBL17156498 0.78 HIF1A (0.60) GPR84HIF1AEPAS1MAPTHTT
SCHEMBL891349 0.78 HIF1A (0.66) GPR84HIF1AEPAS1MAPTHTT
SCHEMBL12827393 0.76 MAPT (0.51) GPR84HIF1AEPAS1MAPTHTT
SCHEMBL5503791 0.73 CYP1A2 (0.56) GPR84HIF1AEPAS1MAPTHTT
SCHEMBL28313365 0.73 GPR84 (0.53) GPR84HIF1AEPAS1MAPTHTT
SCHEMBL891270 0.73 HIF1A (0.53) GPR84HIF1AEPAS1MAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0434940-B1 N-oxygenated arylpyrrole, insecticidal, acaricidal and nematicidal agents AMERICAN CYANAMID CO (US) 1996-05-29 EP claimed