SCHEMBL9947102

SCHEMBL9947102

Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc2cc(C(=O)NC3CCC(C(F)(F)F)CC3)c(N3CC[C@@H](F)C3)cc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PTGES O14684 20/20 1.00

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
SCHEMBL9946765 1.00 PTGES (1.00) PTGES
SCHEMBL9947098 1.00 PTGES (1.00) PTGES
SCHEMBL9946694 1.00 PTGES (1.00) PTGES
SCHEMBL9946714 0.97 PTGES (1.00) PTGES
SCHEMBL9946631 0.96 PTGES (1.00) PTGES
SCHEMBL9946812 0.96 PTGES (0.95) PTGES
SCHEMBL9946633 0.96 PTGES (1.00) PTGES
SCHEMBL9947072 0.95 PTGES (1.00) PTGES
SCHEMBL9946809 0.95 PTGES (1.00) PTGES
SCHEMBL9899316 0.95 PTGES (1.00) 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