SCHEMBL19831096

SCHEMBL19831096

Cc1c(C(=O)c2ccccc2)c2ccc(C(F)(F)F)cc2n1-c1ccc(Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.47
PPARG P37231 2/20 0.46
ENPP2 Q13822 1/20 0.45
USP14 P54578 9/20 0.45
MAPT P10636 2/20 0.44
MAT2A P31153 1/20 0.44
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
CCR1 P32246 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.42

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
SCHEMBL19831047 0.89 PPARG (0.53) PPARGMAPTMAT2AKDM4ELMNA
SCHEMBL19831051 0.87 PPARG (0.48) PPARGMAPTMAT2AKDM4ESMN1; SMN2
SCHEMBL19831088 0.74 ENPP2 (0.48) RORCPPARGENPP2MAPTMAT2A
SCHEMBL19831035 0.73 MAPK8 (0.51) ENPP2MAPTMAT2ASMN1; SMN2
SCHEMBL14409138 0.70 RORC (0.58) RORCUSP14
SCHEMBL2898983 0.70 PPARG (0.62) PPARG
SCHEMBL3431813 0.70 PPARG (0.60) PPARGUSP14
SCHEMBL29456684 0.69 NOTUM (0.67) MAPTKDM4ELMNAHTTSMN1; SMN2
SCHEMBL19831033 0.69 MAPK8 (0.45) RORCPPARGENPP2USP14MAT2A
SCHEMBL24122521 0.68 MAT2A (0.54) PPARGMAT2AMEN1KMT2A

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-2018021762-A1 NOVEL COMPOUND, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME 현대약품 주식회사 2018-02-01 WO disclosed