SCHEMBL19360336

SCHEMBL19360336

CCSc1ccc(CNC(=O)c2ccc3c(c2)cc(Cc2ccccc2)n3-c2ccccc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RORC P51449 10/20 0.55
SMN1; SMN2 Q16637 1/20 0.44
NR1H4 Q96RI1 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
TP53 P04637 1/20 0.43
MAPT P10636 1/20 0.43
LMNA P02545 2/20 0.42
RXFP1 Q9HBX9 1/20 0.42
ALDH1A1 P00352 2/20 0.41
GAA P10253 1/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL19360637 0.85 RORC (0.51) RORCSMN1; SMN2TP53MAPTLMNA
SCHEMBL19360335 0.81 RORC (0.69) RORC
SCHEMBL19360559 0.78 RORC (0.73) RORC
SCHEMBL19360430 0.78 RORC (0.59) RORCNR1H4MAPT
SCHEMBL19360638 0.78 RORC (0.63) RORCSMN1; SMN2MEN1KMT2A
SCHEMBL19360452 0.78 RORC (0.63) RORCSMN1; SMN2NR1H4MEN1KMT2A
SCHEMBL19360531 0.77 RORC (0.58) RORCNR1H4MAPT
SCHEMBL19360331 0.76 RORC (0.74) RORCNR1H4
SCHEMBL19360643 0.76 RORC (0.61) RORC
SCHEMBL19360598 0.75 EPHX2 (0.48) RORCSMN1; SMN2NR1H4ALDH1A1GAA

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