SCHEMBL13190060

SCHEMBL13190060

C=C(Nc1cc2c(cc1Cl)nc(Nc1cc(CNC(=O)C3(C)CCCCC3)ccc1Cl)n2C)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PTGES O14684 20/20 0.46

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
SCHEMBL3106280 0.92 PTGES (0.47) PTGES
SCHEMBL1725950 0.87 PTGES (0.47) PTGES
SCHEMBL3101642 0.84 PTGES (0.47) PTGES
SCHEMBL3094931 0.83 PTGES (0.47) PTGES
SCHEMBL3111258 0.82 PTGES (0.48) PTGES
SCHEMBL13190118 0.79 PTGES (0.47) PTGES
SCHEMBL3112010 0.79 PTGES (0.44) PTGES
SCHEMBL9939885 0.78 PTGES (0.44) PTGES
SCHEMBL16192919 0.77 PTGES (0.44) PTGES
SCHEMBL3094236 0.77 PTGES (0.45) 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-2010100249-A1 3H-IMIDAZO [4, 5 -C] PYRIDINE- 6 -CARBOXAMIDES AS ANTI- INFLAMMATORY AGENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-10 WO disclosed