SCHEMBL28126670

SCHEMBL28126670

NS(=O)(=O)Nc1cc(Cl)c(Oc2ccc(C(F)(F)F)cc2-c2ccnnc2)cc1F.c1nncs1

nearest known ligand 0.65

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 20/20 0.65
▸ CYP2C9 P11712 2/20 0.65
▸ SCN5A Q14524 1/20 0.65
▸ SCN1A P35498 1/20 0.63
▸ SCN2A Q99250 1/20 0.63
▸ SCN8A Q9UQD0 1/20 0.63

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
SCHEMBL16531653 0.79 SCN9A (1.00) SCN9ACYP2C9SCN5ASCN1ASCN2A
Pf-05186462 SCHEMBL1094900 0.77 SCN9A (1.00) SCN9ACYP2C9SCN5ASCN1ASCN2A
Pf-05186462 SCHEMBL30275377 0.77 SCN9A (1.00) SCN9ACYP2C9SCN5ASCN1ASCN2A
SCHEMBL16319247 0.75 SCN9A (0.59) SCN9ACYP2C9SCN5ASCN1ASCN2A
SCHEMBL1690669 0.74 SCN9A (0.90) SCN9ACYP2C9SCN5ASCN1ASCN2A
SCHEMBL16531719 0.74 SCN9A (1.00) SCN9ACYP2C9SCN5ASCN1ASCN2A
SCHEMBL16530578 0.72 SCN9A (1.00) SCN9ACYP2C9SCN5ASCN1ASCN2A
SCHEMBL1690532 0.72 SCN9A (0.90) SCN9ACYP2C9SCN5ASCN1ASCN2A
SCHEMBL16530966 0.71 SCN9A (1.00) SCN9ACYP2C9SCN5ASCN1ASCN2A
SCHEMBL1690553 0.71 SCN9A (0.77) SCN9ACYP2C9SCN5ASCN1ASCN2A

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-106397426-A 1,3,4-thiadiazole compound and preparation method thereof 广东环境保护工程职业学院 2017-02-15 — — CN disclosed
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