SCHEMBL19360642

SCHEMBL19360642

CC[S+]([O-])c1ccc(CNC(=O)c2ccc3c(c2)cc(Cc2ccccc2C)n3C)cc1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RORC P51449 10/20 0.61
RXFP1 Q9HBX9 1/20 0.45
TP53 P04637 1/20 0.44
MEN1 O00255 6/20 0.43
KMT2A Q03164 6/20 0.43
ALDH1A1 P00352 5/20 0.43
HPGD P15428 2/20 0.43
ALOX15 P16050 1/20 0.43
HSD17B10 Q99714 1/20 0.43
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
GAA P10253 1/20 0.42
THRB P10828 1/20 0.42
PPARG P37231 1/20 0.42
NCOA2 Q15596 1/20 0.42
NCOA1 Q15788 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
NCOA3 Q9Y6Q9 1/20 0.42
L3MBTL1 Q9Y468 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
SCHEMBL19360599 0.89 RORC (0.77) RORCPPARG
SCHEMBL19360597 0.79 RORC (0.61) RORCPPARG
SCHEMBL19360315 0.77 RORC (0.64) RORCLMNA
SCHEMBL19360489 0.76 RORC (0.80) RORC
SCHEMBL19360308 0.76 RORC (1.00) RORC
SCHEMBL19360432 0.74 RORC (0.73) RORC
SCHEMBL19360643 0.74 RORC (0.61) RORCPPARG
SCHEMBL19360446 0.73 RORC (0.64) RORC
SCHEMBL19360636 0.73 RORC (0.64) RORCPPARG
SCHEMBL19360650 0.73 KMT2A (0.42) RORCKMT2AMAPT

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