SCHEMBL16199742

SCHEMBL16199742

NN(c1nc2cc(C(=O)Nc3ccc(Br)cc3)c(OCC(F)F)cc2[nH]1)c1cc(CNC(=O)C2(C(F)(F)F)CC2)ccc1Cl

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
SCHEMBL3099096 0.85 PTGES (0.58) PTGES
SCHEMBL1725041 0.77 PTGES (0.80) PTGES
SCHEMBL3106287 0.76 PTGES (0.47) PTGES
SCHEMBL16199745 0.75 PTGES (0.49) PTGES
SCHEMBL3101702 0.73 PTGES (0.73) PTGES
SCHEMBL3093201 0.73 PTGES (0.69) PTGES
SCHEMBL3100417 0.72 PTGES (0.68) PTGES
SCHEMBL16192711 0.72 PTGES (0.62) PTGES
SCHEMBL3109419 0.71 PTGES (0.66) PTGES
SCHEMBL3099526 0.71 PTGES (0.58) 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
EP-2403852-B1 2-AMINOBENZIMIDAZOLE-5-CARBOXAMIDES AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM INT (DE) 2014-10-29 EP disclosed