SCHEMBL28285100

SCHEMBL28285100

CCOn1c(Cc2ccc(Cl)cc2C(F)(F)F)cc2cc(C(=O)O)ccc21

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RORC P51449 7/20 0.49
POLQ O75417 1/20 0.41
MRGPRX4 Q96LA9 2/20 0.39
PPARG P37231 1/20 0.37
PLA2G4A P47712 2/20 0.36
LTB4R Q15722 1/20 0.36
DDR1 Q08345 2/20 0.35
KDM4C Q9H3R0 1/20 0.35
CCR2 P41597 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL28285217 0.90 RORC (0.49) RORCPOLQMRGPRX4PPARGDDR1
SCHEMBL28302148 0.83 RORC (0.49) RORCPOLQMRGPRX4PPARGKDM4C
SCHEMBL28285110 0.82 RORC (0.55) RORCPOLQMRGPRX4PPARGKDM4C
SCHEMBL19360574 0.82 RORC (0.65) RORCPOLQMRGPRX4PPARG
SCHEMBL22238330 0.80 RORC (0.51) RORCPOLQMRGPRX4PPARGKDM4C
SCHEMBL29465610 0.80 RORC (0.64) RORCPOLQMRGPRX4PPARGPLA2G4A
SCHEMBL19360545 0.80 RORC (0.64) RORCPOLQMRGPRX4PPARGPLA2G4A
SCHEMBL19360314 0.79 RORC (0.65) RORCPOLQMRGPRX4PPARG
SCHEMBL22238305 0.79 RORC (0.51) RORCPOLQMRGPRX4PPARGKDM4C
SCHEMBL28283533 0.79 RORC (0.51) RORCPOLQMRGPRX4PPARGCCR2

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
CN-109485595-A Indole carboxamides analog derivative, preparation method and its application in medicine that hydrophilic radical replaces 江苏恒瑞医药股份有限公司 2019-03-19 CN disclosed