SCHEMBL9308412

SCHEMBL9308412

CCc1nc(C)n2[nH]c(=O)nc2c1Cc1ccc(-c2ccccc2C#N)cc1

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 1/20 0.58
KDM4E B2RXH2 3/20 0.41
CYP2C9 P11712 2/20 0.41
FPR1 P21462 2/20 0.41
GAA P10253 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
CYP3A4 P08684 1/20 0.39
PPARG P37231 2/20 0.39
KDM5A P29375 1/20 0.39
ALDH1A1 P00352 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TDP1 Q9NUW8 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
SCHEMBL9308944 0.92 AGTR1 (0.69) AGTR1PPARG
SCHEMBL9308892 0.91 AGTR1 (0.62) AGTR1
SCHEMBL9311500 0.85 AGTR1 (0.49) AGTR1KDM4ECYP2C9FPR1GAA
SCHEMBL9309558 0.84 AGTR1 (0.56) AGTR1PPARG
SCHEMBL9309816 0.80 AGTR1 (0.63) AGTR1
SCHEMBL1895309 0.79 KDM4E (0.41) KDM4ECYP2C9FPR1GAACYP2D6
SCHEMBL1894719 0.79 KDM4E (0.40) AGTR1KDM4ECYP2C9FPR1GAA
SCHEMBL9308894 0.79 AGTR1 (0.53) AGTR1PPARG
SCHEMBL9310836 0.78 PPARG (0.40) PPARG
SCHEMBL9310965 0.78 PPARG (0.40) AGTR1PPARG

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
US-5358950-A Useful in treatment of cardiovascular diseases LABORATOIRES UPSA (FR) 1994-10-25 US disclosed