SCHEMBL19360430

SCHEMBL19360430

CCSc1ccc(CNC(=O)c2ccc3c(c2)cc(Cc2ccc(C(F)(F)F)cc2)n3C)cc1

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RORC P51449 14/20 0.59
LSS P48449 1/20 0.45
EPHX2 P34913 2/20 0.44
PPARG P37231 1/20 0.44
PPARA Q07869 1/20 0.44
NR1H4 Q96RI1 1/20 0.44
PSMD14 O00487 1/20 0.44
STAMBP O95630 1/20 0.44
MAPT P10636 1/20 0.43

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
SCHEMBL19360531 0.90 RORC (0.58) RORCLSSEPHX2PPARGPPARA
SCHEMBL19360643 0.87 RORC (0.61) RORCEPHX2PPARG
SCHEMBL19360444 0.85 RORC (0.79) RORC
SCHEMBL19360584 0.81 RORC (0.48) RORCLSSEPHX2PPARGPPARA
SCHEMBL19360556 0.81 RORC (0.51) RORCEPHX2PPARGNR1H4MAPT
SCHEMBL22512495 0.80 RORC (0.53) RORCPSMD14STAMBP
SCHEMBL19360448 0.79 RORC (0.65) RORCPPARA
SCHEMBL19360598 0.79 EPHX2 (0.48) RORCEPHX2PPARGPPARANR1H4
SCHEMBL19360654 0.78 RORC (0.50) RORCLSSEPHX2PPARGPPARA
SCHEMBL19360336 0.78 RORC (0.55) RORCNR1H4MAPT

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-2017157332-A1 AROMATIC AMIDE DERIVATIVE, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL APPLICATIONS THEREOF 江苏恒瑞医药股份有限公司 2017-09-21 WO disclosed