SCHEMBL1094345

SCHEMBL1094345

CC(C)(C)c1sc(S(=O)(=O)c2ccc(Oc3ccc(Cl)cc3-c3ccnn3C3CN(C(c4ccccc4)c4ccccc4)C3)c(C#N)c2)nc1NC(=O)O

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 20/20 0.52
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
SCN2A Q99250 1/20 0.48
SCN8A Q9UQD0 1/20 0.48

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
SCHEMBL1095191 0.89 SCN9A (0.59) SCN9ACYP3A4CYP2C9SCN2ASCN8A
SCHEMBL1094268 0.81 SCN9A (0.50) SCN9ACYP3A4CYP2C9
SCHEMBL1094346 0.76 SCN9A (0.59) SCN9ACYP3A4CYP2C9SCN2ASCN8A
SCHEMBL1093796 0.76 SCN9A (0.61) SCN9ACYP3A4CYP2C9SCN2ASCN8A
SCHEMBL1094338 0.69 PIK3CD (0.38) SCN9A
SCHEMBL16531559 0.69 SCN9A (1.00) SCN9ACYP3A4CYP2C9SCN2ASCN8A
SCHEMBL1095194 0.67 SCN9A (0.57) SCN9ACYP3A4CYP2C9SCN2ASCN8A
SCHEMBL16531628 0.66 SCN9A (1.00) SCN9ACYP3A4CYP2C9SCN2ASCN8A
Pf-05150122 SCHEMBL1094447 0.65 SCN9A (1.00) SCN9ACYP3A4CYP2C9SCN2ASCN8A
SCHEMBL1094823 0.64 IDO1 (0.38) SCN9A

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
US-8153814-B2 Sulfonamide derivatives PFIZER LIMITED (GB) 2012-04-10 US disclosed