SCHEMBL9946996

SCHEMBL9946996

Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc2cc(C(=O)NC3CCC(C(F)(F)F)CC3)c(N3CC4CC4C3)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
SCHEMBL9946776 1.00 PTGES (1.00) PTGES
SCHEMBL9946733 1.00 PTGES (1.00) PTGES
SCHEMBL16300078 0.97 PTGES (1.00) PTGES
SCHEMBL9946628 0.97 PTGES (1.00) PTGES
SCHEMBL9946825 0.96 PTGES (0.92) PTGES
SCHEMBL9946980 0.96 PTGES (0.92) PTGES
SCHEMBL9946978 0.95 PTGES (0.91) PTGES
SCHEMBL9946904 0.95 PTGES (1.00) PTGES
SCHEMBL9946658 0.95 PTGES (0.91) PTGES
SCHEMBL9946734 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