SCHEMBL9257925

SCHEMBL9257925

CCCCc1nc2ccnn2c(O)c1Cc1ccc(-c2ccccc2C#N)cc1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.41
ACHE P22303 1/20 0.41
AGTR1 P30556 3/20 0.41
AGTR2 P50052 2/20 0.41
GSK3A P49840 1/20 0.38
GSK3B P49841 1/20 0.38
APLNR P35414 1/20 0.38
ESR2 Q92731 1/20 0.37

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
SCHEMBL7312739 0.94 PPARG (0.45) PPARGACHEGSK3AGSK3BESR2
SCHEMBL9258548 0.86 ESR2 (0.40) PPARGGSK3AGSK3BESR2
SCHEMBL9262231 0.84 PPARG (0.46) PPARGGSK3AGSK3B
SCHEMBL7320243 0.83 PPARG (0.47) PPARGACHEGSK3AGSK3B
SCHEMBL7319487 0.83 PPARG (0.45) PPARGACHEGSK3AGSK3B
SCHEMBL9256683 0.83 EGLN1 (0.45) PPARGGSK3AGSK3BESR2
SCHEMBL9260186 0.81 PPARG (0.43) PPARGACHEGSK3AGSK3B
SCHEMBL9264481 0.81 TRPV1 (0.36) PPARG
SCHEMBL9260088 0.81 PPARG (0.47) PPARGACHEAGTR1AGTR2GSK3A
SCHEMBL9261174 0.81

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-5389632-A Cardiovascular disorders LABORATOIRES UPSA (FR) 1995-02-14 US disclosed