SCHEMBL19360650

SCHEMBL19360650

CCn1c(CN2CCN(C)CC2)cc2cc(C(=O)NCc3ccc([S+]([O-])CC)cc3)ccc21

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.42
RORC P51449 15/20 0.42
CHRM3 P20309 2/20 0.40
MAPT P10636 1/20 0.40
ENPP2 Q13822 1/20 0.40

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
SCHEMBL19360566 0.87 RORC (0.58) RORC
SCHEMBL19360651 0.85 KMT2A (0.43) KMT2ARORCCHRM3MAPTENPP2
SCHEMBL19360568 0.79 RORC (0.61) RORC
SCHEMBL19360569 0.77 RORC (0.57) RORC
SCHEMBL19360597 0.77 RORC (0.61) RORC
SCHEMBL19360649 0.77 RORC (0.43) KMT2ARORCMAPT
SCHEMBL19360600 0.76 RORC (0.51) RORC
SCHEMBL19360641 0.75 ALDH1A1 (0.48) KMT2AMAPTENPP2
SCHEMBL19360642 0.73 RORC (0.61) KMT2ARORCMAPT
SCHEMBL20631881 0.72 RORC (0.73) RORCMAPT

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