SCHEMBL16229833

SCHEMBL16229833

COc1ccc(CN(c2ncccn2)[S+]([O-])c2cc(Cl)c(Sc3ccc(C(F)(F)F)cc3-c3ccnc(N)c3)cc2F)c(OC)c1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 5/20 0.35
DYRK1A Q13627 1/20 0.31
ALOX5AP P20292 1/20 0.31
FEN1 P39748 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
ALOX15 P16050 1/20 0.30
TSHR P16473 1/20 0.30
CYP2C19 P33261 1/20 0.30
MBOAT4 Q96T53 1/20 0.30
CDC7 O00311 1/20 0.30

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
SCHEMBL10130167 0.83 SCN9A (0.41) SCN9ACDC7
SCHEMBL10129962 0.76 SCN9A (0.40) SCN9A
SCHEMBL14891244 0.73 SCN9A (0.47) SCN9A
SCHEMBL14891248 0.69 SCN9A (0.40) SCN9ACYP1A2CYP3A4ALOX15TSHR
SCHEMBL20256920 0.69 GAA (0.35) CYP1A2CYP3A4ALOX15TSHRCYP2C19
SCHEMBL10147882 0.69 SCN9A (0.53) SCN9A
SCHEMBL10130230 0.67 SCN9A (0.57) SCN9A
SCHEMBL21524340 0.65 CYP1A2 (0.36) CYP1A2CYP3A4ALOX15TSHRCYP2C19
SCHEMBL19001212 0.65 MEN1 (0.35) CYP1A2CYP3A4TSHRCYP2C19
SCHEMBL10129756 0.65 SCN9A (0.47) 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
EP-2590957-B1 N-SULFONYLBENZAMIDES AS INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS PFIZER LTD (GB) 2014-11-12 EP disclosed