SCHEMBL10091576

SCHEMBL10091576

C[C@H](O)C(=O)NCc1ccc(Cl)c(Nc2nc3nc(OCC(F)F)c(C(N)=O)cc3[nH]2)c1Cl

nearest known ligand 0.49

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PTGES O14684 20/20 0.49

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
SCHEMBL10091533 0.95 PTGES (0.50) PTGES
SCHEMBL10091658 0.92 PTGES (0.48) PTGES
SCHEMBL10091463 0.87 PTGES (0.54) PTGES
SCHEMBL10091653 0.87 PTGES (0.48) PTGES
SCHEMBL10091595 0.86 PTGES (0.47) PTGES
SCHEMBL10091436 0.85 PTGES (0.42) PTGES
SCHEMBL10091597 0.85 PTGES (0.47) PTGES
SCHEMBL10091529 0.85 PTGES (0.47) PTGES
SCHEMBL10091465 0.85 PTGES (0.47) PTGES
SCHEMBL11985299 0.84 PTGES (0.67) 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-2012022792-A1 2-(ARYLAMINO)-3H-IMIDAZO[4,5-B]PYRIDINE-6-CARBOXAMIDE DERIVATIVES AND THEIR USE AS MPGES-1 INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-23 WO disclosed