SCHEMBL7688331

SCHEMBL7688331

CS(=O)(=O)NC(=O)c1ccc2c(Cl)ccnc2c1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 15/20 0.53
SCN5A Q14524 5/20 0.50
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
CSNK2A2 P19784 1/20 0.47
CSNK2B P67870 1/20 0.47
CSNK2A1 P68400 1/20 0.47
CSNK2A3 Q8NEV1 1/20 0.47
P4HTM Q9NXG6 2/20 0.46
SMYD3 Q9H7B4 1/20 0.46
SCN2B O60939 1/20 0.44
SCN1B Q07699 1/20 0.44
MAP4K4 O95819 1/20 0.44

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
SCHEMBL7691474 0.88 SMYD3 (0.48) SCN9ASCN5ACYP3A4CYP2C9CSNK2A2
SCHEMBL7688928 0.87 P4HTM (0.48) SCN9ASCN5ACYP3A4CYP2C9CSNK2A2
SCHEMBL7693447 0.84 SCN9A (0.47) SCN9ASCN5ACYP3A4CYP2C9CSNK2A2
SCHEMBL2173115 0.84 PLK1 (0.52) SMYD3
SCHEMBL7691939 0.83 P4HTM (0.52) P4HTM
SCHEMBL7693534 0.83 SMYD3 (0.47) SCN9ASCN5ACYP3A4CYP2C9CSNK2A2
SCHEMBL7691836 0.82 PPARG (0.50) SCN9ASCN5ACYP3A4CYP2C9SMYD3
SCHEMBL24725139 0.82 SMYD3 (0.46) SMYD3
SCHEMBL22972033 0.81 SMYD3 (0.48) CYP3A4SMYD3
SCHEMBL22971925 0.81 SMYD3 (0.48) SMYD3

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-2002000622-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-01-03 WO disclosed