SCHEMBL13076599

SCHEMBL13076599

CS(=O)(=O)Nc1ccc(-c2ccc(CNC(=O)c3cc(=O)n(Cc4ccccc4)c(=O)[nH]3)c(OC(F)(F)F)c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.45
MAPT P10636 1/20 0.45
EPHX2 P34913 7/20 0.44
NR1H4 Q96RI1 5/20 0.44
ALDH1A1 P00352 1/20 0.43
RORC P51449 1/20 0.42
PPARG P37231 2/20 0.40
KIF11 P52732 1/20 0.38
DDR1 Q08345 1/20 0.37
BRD4 O60885 1/20 0.37
MAPK8 P45983 1/20 0.37
ABL1 P00519 1/20 0.37

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
SCHEMBL13075692 0.94 ALDH1A1 (0.45) POLBMAPTEPHX2NR1H4ALDH1A1
SCHEMBL13075686 0.91 POLB (0.42) POLBMAPTEPHX2ALDH1A1RORC
SCHEMBL13076041 0.90 MAPT (0.45) POLBMAPTEPHX2ALDH1A1PPARG
SCHEMBL13075688 0.88 MAPT (0.47) POLBMAPTEPHX2ALDH1A1PPARG
SCHEMBL13076524 0.87 MAPT (0.46) POLBMAPTEPHX2ALDH1A1PPARG
SCHEMBL13075687 0.85 EPHX2 (0.44) POLBMAPTEPHX2ALDH1A1PPARG
SCHEMBL13076046 0.84 ALDH1A1 (0.41) POLBMAPTEPHX2ALDH1A1RORC
SCHEMBL13075691 0.84 POLB (0.40) POLBMAPTEPHX2ALDH1A1PPARG
SCHEMBL13075693 0.84 POLB (0.41) POLBMAPTEPHX2ALDH1A1PPARG
SCHEMBL13076043 0.83 ROCK2 (0.47) POLBMAPTEPHX2ALDH1A1PPARG

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