SCHEMBL9939999

SCHEMBL9939999

Cn1c(Nc2cc(CNC(=O)C(C)(C)F)ccc2Cl)nc2cc(Cl)c(N3CCN(c4ccc(C(F)(F)F)cc4)CC3)cc21

nearest known ligand 0.48

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PTGES O14684 20/20 0.48

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
SCHEMBL9939924 0.95 PTGES (0.45) PTGES
SCHEMBL9940001 0.94 PTGES (0.44) PTGES
SCHEMBL9939939 0.94 PTGES (0.49) PTGES
SCHEMBL9939972 0.89 PTGES (0.55) PTGES
SCHEMBL9939997 0.87 BRD4 (0.41) PTGES
SCHEMBL9939943 0.85 CCND3 (0.38) PTGES
SCHEMBL16181912 0.82 PTGES (0.48) PTGES
SCHEMBL9939980 0.81 PTGES (0.57) PTGES
SCHEMBL9939928 0.81 PTGES (0.57) PTGES
SCHEMBL9939919 0.79 PTGES (0.47) PTGES

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-2012076672-A1 2 -AMINOBENZ IMIDAZOLE DERIVATIVES USEFUL IN THE TREATMENT OF INFLAMMATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-14 WO disclosed