SCHEMBL19360649

SCHEMBL19360649

CCSc1ccc(CNC(=O)c2ccc3c(c2)cc(CN2CCCCC2)n3CC)cc1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
RORC P51449 7/20 0.43
KMT2A Q03164 1/20 0.42
TP53 P04637 3/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 2/20 0.41
MLLT1 Q03111 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
SCHEMBL19360651 0.92 KMT2A (0.43) RORCKMT2AMAPT
SCHEMBL19360641 0.91 ALDH1A1 (0.48) KMT2ATP53LMNAMAPTMLLT1
SCHEMBL19360519 0.87 RORC (0.49) RORCTP53LMNAMAPTMLLT1
SCHEMBL19360568 0.85 RORC (0.61) RORC
SCHEMBL19360531 0.79 RORC (0.58) RORCMAPT
SCHEMBL22512561 0.78 RORC (0.52) RORC
SCHEMBL19360566 0.78 RORC (0.58) RORC
SCHEMBL19360598 0.77 EPHX2 (0.48) RORC
SCHEMBL19360569 0.77 RORC (0.57) RORC
SCHEMBL19360650 0.77 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