SCHEMBL18013113

SCHEMBL18013113

CS(=O)(=O)NC(=O)c1cc(Cl)c(OC[C@@H]2CCCN2c2ccc(OC(F)(F)F)c(Cl)c2)cc1F

nearest known ligand 0.59

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 20/20 0.59
▸ SCN5A Q14524 2/20 0.53

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
SCHEMBL18013275 1.00 SCN9A (0.59) SCN9ASCN5A
SCHEMBL28385997 1.00 SCN9A (0.59) SCN9ASCN5A
SCHEMBL18013110 0.98 SCN9A (0.60) SCN9ASCN5A
SCHEMBL18013108 0.96 SCN9A (0.54) SCN9ASCN5A
SCHEMBL28390529 0.95 SCN9A (0.59) SCN9ASCN5A
SCHEMBL18013229 0.95 SCN9A (0.59) SCN9ASCN5A
SCHEMBL18013111 0.95 SCN9A (0.59) SCN9ASCN5A
SCHEMBL22507520 0.94 SCN9A (0.51) SCN9ASCN5A
SCHEMBL28386963 0.93 SCN5A (0.59) SCN9ASCN5A
SCHEMBL18013308 0.93 SCN5A (0.59) SCN9ASCN5A

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-2016124139-A1 HETEROCYCLIC-SUBSTITUTED N-SULFONYLBENZAMIDE DERIVATIVES, PREPARATION METHOD FOR DERIVATIVES, AND PHARMACEUTICAL USE OF DERIVATIVES 上海海雁医药科技有限公司 2016-08-11 — — WO disclosed
Send feedback