SCHEMBL9340753

SCHEMBL9340753

CCCCc1ccc(CC#N)c(=O)[nH]1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 3/20 0.41
HIF1A Q16665 4/20 0.40
EPAS1 Q99814 4/20 0.40
DAO P14920 1/20 0.39
ALDH1A1 P00352 5/20 0.37
HPGD P15428 5/20 0.37
HSD17B10 Q99714 2/20 0.37
CYP1A2 P05177 2/20 0.37
PARP1 P09874 1/20 0.37
KDM4E B2RXH2 5/20 0.36
PKM P14618 1/20 0.36
HTT P42858 3/20 0.36
MAPT P10636 2/20 0.36
TYMP P19971 1/20 0.35
GAA P10253 2/20 0.35
GLA P06280 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CTRC Q99895 1/20 0.34
APAF1 O14727 1/20 0.34

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
SCHEMBL9232786 0.79 GPR84 (0.41) GPR84HIF1AEPAS1DAOALDH1A1
SCHEMBL1256978 0.79 GPR84 (0.44) GPR84HIF1AEPAS1DAOALDH1A1
SCHEMBL9341196 0.79 GPR84 (0.44) GPR84HIF1AEPAS1DAOALDH1A1
SCHEMBL9340937 0.79 GPR84 (0.44) GPR84HIF1AEPAS1DAOALDH1A1
SCHEMBL1258908 0.78 CRHBP (0.49) GPR84HIF1AEPAS1DAOALDH1A1
SCHEMBL9337108 0.76 ALDH1A1 (0.47) GPR84HIF1AEPAS1DAOALDH1A1
SCHEMBL9337293 0.75 GPR84 (0.44) GPR84HIF1AEPAS1DAOALDH1A1
SCHEMBL9337505 0.74 GPR84 (0.40) GPR84HIF1AEPAS1DAOALDH1A1
SCHEMBL9339225 0.73 GPR84 (0.47) GPR84HIF1AEPAS1DAOALDH1A1
SCHEMBL9340882 0.73 GPR84 (0.39) GPR84HIF1AEPAS1DAOALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5332750-A Treatment of hypertension, aldosteronism, cardiac insufficienc y MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1994-07-26 US disclosed
EP-0530702-A1 1,2-dihydro-2-oxopyridines as angiotensin II antagonists MERCK PATENT GmbH (DE) 1993-03-10 EP disclosed