SCHEMBL13075686

SCHEMBL13075686

CS(=O)(=O)c1ccc(-c2ccc(CNC(=O)c3cc(=O)n(Cc4ccccc4)c(=O)[nH]3)c(OC(F)(F)F)c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
ALDH1A1 P00352 1/20 0.42
EPHX2 P34913 3/20 0.41
PPARG P37231 3/20 0.41
RORC P51449 3/20 0.40
GCGR P47871 4/20 0.39
DDR1 Q08345 2/20 0.38
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
EGLN1 Q9GZT9 1/20 0.36
MAPK8 P45983 1/20 0.36

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
SCHEMBL13076041 0.92 MAPT (0.45) POLBMAPTALDH1A1EPHX2PPARG
SCHEMBL13076599 0.91 POLB (0.45) POLBMAPTALDH1A1EPHX2PPARG
SCHEMBL13075742 0.90 RORC (0.46) POLBMAPTALDH1A1EPHX2PPARG
SCHEMBL13075692 0.88 ALDH1A1 (0.45) POLBMAPTALDH1A1EPHX2PPARG
SCHEMBL13076046 0.87 ALDH1A1 (0.41) POLBMAPTALDH1A1EPHX2PPARG
SCHEMBL13075687 0.87 EPHX2 (0.44) POLBMAPTALDH1A1EPHX2PPARG
SCHEMBL13075688 0.86 MAPT (0.47) POLBMAPTALDH1A1EPHX2PPARG
SCHEMBL13076524 0.85 MAPT (0.46) POLBMAPTALDH1A1EPHX2PPARG
SCHEMBL13075693 0.85 POLB (0.41) POLBMAPTALDH1A1EPHX2PPARG
SCHEMBL13076529 0.85 MAPT (0.41) POLBMAPTALDH1A1EPHX2PPARG

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