SCHEMBL19360644

SCHEMBL19360644

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

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RORC P51449 8/20 0.54
TP53 P04637 2/20 0.50
MAPT P10636 3/20 0.48
SMN1; SMN2 Q16637 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
THRB P10828 1/20 0.45
LMNA P02545 1/20 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
SCHEMBL19360645 0.88 RORC (0.54) RORCSMN1; SMN2
SCHEMBL19360572 0.88 RORC (0.48) RORCSMN1; SMN2HDAC6LMNA
SCHEMBL19360338 0.86 RORC (0.57) RORCHDAC6
SCHEMBL19360477 0.86 RORC (0.69) RORC
SCHEMBL19360481 0.78 RORC (0.67) RORC
SCHEMBL29016570 0.77 RORC (0.83) RORC
SCHEMBL30370139 0.77 RORC (0.83) RORC
SCHEMBL28581339 0.75 RORC (0.68) RORC
SCHEMBL19360638 0.75 RORC (0.63) RORCSMN1; SMN2
SCHEMBL19360452 0.75 RORC (0.63) RORCSMN1; SMN2

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