SCHEMBL19360338

SCHEMBL19360338

CCSc1ccc(CNC(=O)c2ccc3c(c2)nc(Cc2cccc(C(F)(F)F)c2)n3C(C)C)cc1

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
RORC P51449 14/20 0.57
HDAC6 Q9UBN7 1/20 0.43
MLYCD O95822 1/20 0.43
MRGPRX1 Q96LB2 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
SCHEMBL19360337 0.88 RORC (0.75) RORC
SCHEMBL19360529 0.87 RORC (0.59) RORCHDAC6MLYCDMRGPRX1
SCHEMBL19360644 0.86 RORC (0.54) RORCHDAC6
SCHEMBL19360645 0.85 RORC (0.54) RORC
SCHEMBL19360572 0.83 RORC (0.48) RORCHDAC6
SCHEMBL29016570 0.79 RORC (0.83) RORC
SCHEMBL30370139 0.79 RORC (0.83) RORC
SCHEMBL19360478 0.75 RORC (0.69) RORC
SCHEMBL19360310 0.74 RORC (0.77) RORC
SCHEMBL19360323 0.73 RORC (0.76) 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