SCHEMBL14600461

SCHEMBL14600461

COc1ncccc1-c1c(C2CC2)nn(-c2ncccc2C)c1Nc1ccc(C2CC2)cc1C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 14/20 0.51
ADORA1 P30542 6/20 0.41
ADORA3 P0DMS8 1/20 0.40

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
SCHEMBL14600707 0.94 ADORA1 (0.43) DHODHADORA1ADORA3
SCHEMBL14600460 0.93 DHODH (0.51) DHODHADORA1ADORA3
SCHEMBL4667499 0.91 DHODH (0.41) DHODHADORA1ADORA3
SCHEMBL14600455 0.87 DHODH (0.47) DHODHADORA1ADORA3
SCHEMBL14600459 0.85 DHODH (0.49) DHODHADORA1
SCHEMBL14600989 0.84 DHODH (0.49) DHODH
SCHEMBL14600259 0.82 DHODH (0.56) DHODHADORA1ADORA3
SCHEMBL14600254 0.81 ADORA1 (0.51) DHODHADORA1ADORA3
SCHEMBL14600994 0.80 ADORA1 (0.46) DHODHADORA1ADORA3
SCHEMBL4667318 0.79 DHODH (0.40) DHODH

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
WO-2007027842-A1 ANILINOPYRAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF DIABETES BAYER HEALTHCARE LLC (US) 2007-03-08 WO disclosed