SCHEMBL19360331

SCHEMBL19360331

CSc1ccc(CNC(=O)c2ccc3c(c2)cc(Cc2ccccc2)n3C(C)C)cc1

nearest known ligand 0.74

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
RORC P51449 13/20 0.74
NR1H4 Q96RI1 2/20 0.46
EPHX2 P34913 1/20 0.46
DRD2 P14416 1/20 0.44
PCSK9 Q8NBP7 2/20 0.44

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
SCHEMBL19360638 0.82 RORC (0.63) RORC
SCHEMBL19360452 0.82 RORC (0.63) RORCNR1H4EPHX2
SCHEMBL19360310 0.78 RORC (0.77) RORCEPHX2
SCHEMBL19360653 0.78 RORC (0.62) RORC
SCHEMBL19360514 0.78 RORC (0.62) RORC
SCHEMBL19360348 0.77 RORC (0.86) RORC
SCHEMBL19360386 0.77 RORC (0.86) RORC
SCHEMBL19360330 0.77 RORC (0.64) RORC
SCHEMBL19360334 0.77 RORC (0.85) RORC
SCHEMBL19360445 0.77 RORC (0.85) RORC

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