SCHEMBL9947002

SCHEMBL9947002

Cn1c(Nc2c(Cl)ccc(CNC(=O)OC(C)(C)C)c2Cl)nc2cc(C(N)=O)c(N3CC4CC4C3)cc21

nearest known ligand 0.64

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PTGES O14684 20/20 0.64

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
SCHEMBL9946916 0.88 PTGES (0.83) PTGES
SCHEMBL9946566 0.86 PTGES (0.84) PTGES
SCHEMBL9946583 0.83 PTGES (0.79) PTGES
SCHEMBL9946811 0.81 PTGES (0.74) PTGES
SCHEMBL669959 0.80 PTGES (0.81) PTGES
SCHEMBL9898227 0.79 PTGES (0.67) PTGES
SCHEMBL9946744 0.78 PTGES (1.00) PTGES
SCHEMBL9898748 0.78 PTGES (0.85) PTGES
SCHEMBL9899133 0.77 PTGES (0.67) PTGES
SCHEMBL9946836 0.77 PTGES (0.75) 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-2012076673-A1 6-AMINO-2-PHENYLAMINO-1H-BENZIMIDAZOLE-5-CARBOXAMIDE- DERIVATIVES AND THEIR USE AS MICROSOMAL PROSTAGLANDIN E2 SYNTHASE-1 INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-14 WO disclosed