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SCHEMBL13076532

SCHEMBL13076532

Nc1cccc(NC(=O)c2ccc(CNC(=O)c3cc(=O)n(Cc4ccccc4)c(=O)[nH]3)c(OC(F)(F)F)c2)c1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.50
▸ MAPT P10636 3/20 0.46
▸ POLB P06746 1/20 0.46
▸ EPHX2 P34913 8/20 0.43
▸ PPARG P37231 5/20 0.43
▸ PTGS1 P23219 2/20 0.40
▸ BRAF P15056 1/20 0.40
▸ ROCK2 O75116 2/20 0.39
▸ ROCK1 Q13464 1/20 0.38

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
SCHEMBL13075697 0.88 MAPT (0.45) ALDH1A1MAPTPOLBEPHX2PPARG
SCHEMBL13076539 0.87 EPHX2 (0.47) ALDH1A1MAPTPOLBEPHX2PPARG
SCHEMBL13076736 0.86 EPHX2 (0.53) ALDH1A1MAPTPOLBEPHX2PPARG
SCHEMBL3716666 0.86 EPHX2 (0.48) ALDH1A1MAPTPOLBEPHX2PPARG
SCHEMBL13076735 0.84 EPHX2 (0.49) ALDH1A1MAPTEPHX2PPARG
SCHEMBL13075701 0.83 ALDH1A1 (0.45) ALDH1A1EPHX2PPARG
SCHEMBL13076055 0.82 EPHX2 (0.44) ALDH1A1MAPTPOLBEPHX2PPARG
SCHEMBL13076054 0.82 EPHX2 (0.43) ALDH1A1MAPTPOLBEPHX2PPARG
SCHEMBL13075687 0.82 EPHX2 (0.44) ALDH1A1MAPTPOLBEPHX2PPARG
SCHEMBL13076541 0.81 EPHX2 (0.47) ALDH1A1EPHX2PPARG

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-2010129848-A2 2,6-DIOXO-1,2,3,6-TETRAHYDROPYRIMIDINE-4-CARBOXAMIDES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-11-11 — — WO disclosed