SCHEMBL28078714

SCHEMBL28078714

NC(=O)c1cccc(Oc2ccc(F)cc2)c1S(N)(=O)=O

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 1/20 0.50
SOS1 Q07889 1/20 0.47
PARP10 Q53GL7 1/20 0.46
CA12 O43570 2/20 0.45
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CA9 Q16790 1/20 0.45
SCN9A Q15858 2/20 0.41
PNLIP P16233 1/20 0.41
CA7 P43166 1/20 0.40
CA13 Q8N1Q1 1/20 0.40
ICAM1 P05362 1/20 0.39
SELE P16581 1/20 0.39

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
SCHEMBL27800575 0.80 CTNNB1 (0.77) CTNNB1PARP10SCN9APNLIP
SCHEMBL1466934 0.78 CTNNB1 (0.54) CTNNB1SOS1CA12CA1CA2
SCHEMBL23849491 0.76 KDM4E (0.52) CA12CA1CA2CA9CA7
SCHEMBL28078707 0.75 MAPT (0.44) CA12CA1CA2CA9CA7
SCHEMBL29183062 0.75 MAOA (0.47) SOS1CA12CA1CA2CA9
SCHEMBL7689367 0.75 CTNNB1 (0.68) CTNNB1SOS1PARP10CA12CA1
SCHEMBL920683 0.71 CTNNB1 (0.72) CTNNB1PARP10
SCHEMBL28078749 0.70 CA12 (0.53) SOS1PARP10CA12CA1CA2
SCHEMBL17966261 0.70 CTNNB1 (0.47) CTNNB1PARP10PNLIP
SCHEMBL5159679 0.70 ALOX15 (0.50) CA12CA1CA2CA9CA7

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-105683157-A Sulfonamides as modulators of sodium channels 沃泰克斯药物股份有限公司 2016-06-15 CN disclosed