SCHEMBL28394642

SCHEMBL28394642

CS(=O)(=O)NC(=O)c1cc(Cl)c(OC[C@H]2CCCN2Cc2ccc(C(F)(F)F)cc2)cc1F

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 20/20 0.60
▸ SCN5A Q14524 2/20 0.55
▸ SCN1A P35498 1/20 0.55
▸ SCN4A P35499 1/20 0.55
▸ SCN7A Q01118 1/20 0.55
▸ SCN2A Q99250 1/20 0.55
▸ SCN3A Q9NY46 1/20 0.55
▸ SCN8A Q9UQD0 1/20 0.55

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
SCHEMBL28394643 1.00 SCN9A (0.60) SCN9ASCN5ASCN1ASCN4ASCN7A
SCHEMBL18013239 0.92 SCN9A (0.64) SCN9ASCN5ASCN7A
SCHEMBL28383912 0.92 SCN9A (0.64) SCN9ASCN5ASCN7A
SCHEMBL20668665 0.91 SCN9A (0.57) SCN9ASCN5ASCN4A
SCHEMBL18013219 0.88 SCN9A (0.61) SCN9ASCN5ASCN1ASCN4ASCN7A
SCHEMBL20668667 0.88 HDAC8 (0.46) SCN9ASCN5ASCN1ASCN4ASCN7A
SCHEMBL20668666 0.86 MRGPRX4 (0.48) SCN9A
SCHEMBL28383931 0.86 SCN9A (0.59) SCN9ASCN5ASCN1ASCN4ASCN7A
SCHEMBL28383934 0.86 SCN9A (0.59) SCN9ASCN5ASCN1ASCN4ASCN7A
SCHEMBL20668617 0.83 SCN9A (0.60) SCN9ASCN5ASCN4ASCN7A

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
CN-107207430-B Heterocyclic substituted N-sulfonyl benzamide derivative, preparation method and medical application thereof 上海海雁医药科技有限公司 2020-04-28 — — CN disclosed
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