SCHEMBL8864129

SCHEMBL8864129

C=[N+]([O-])c1ccc(F)c(Cn2c(C(=O)NS(=O)(=O)C3CC3)c(-c3ccc[nH]c3=O)c3cc(Cl)ccc32)c1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2C8 P10632 1/20 0.39
AURKA O14965 1/20 0.35
TPX2 Q9ULW0 1/20 0.35
TRPM4 Q8TD43 1/20 0.34
SCN9A Q15858 7/20 0.33
KMT2A Q03164 2/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.32
SCN5A Q14524 3/20 0.31
SCN2B O60939 1/20 0.31
SCN1A P35498 1/20 0.31
SCN1B Q07699 1/20 0.31
KRAS P01116 4/20 0.31
SCN4A P35499 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
SCHEMBL831480 0.94 CYP2C8 (0.39) CYP2C8AURKATPX2TRPM4SCN9A
SCHEMBL13905361 0.92 CYP2C8 (0.38) CYP2C8AURKATPX2SCN9AKMT2A
SCHEMBL10257265 0.90 CYP2C8 (0.41) CYP2C8AURKATPX2TRPM4SCN9A
SCHEMBL831406 0.89 CYP2C8 (0.43) CYP2C8AURKATPX2TRPM4SCN9A
SCHEMBL13905195 0.88 CYP2C8 (0.38) CYP2C8AURKATPX2TRPM4SCN9A
SCHEMBL831037 0.86 CYP2C8 (0.42) CYP2C8AURKATPX2TRPM4SCN9A
SCHEMBL831390 0.86 CYP2C8 (0.39) CYP2C8AURKATPX2SCN9AKMT2A
SCHEMBL831763 0.85 CYP2C8 (0.40) CYP2C8AURKATPX2TRPM4SCN9A
SCHEMBL832072 0.85 CYP2C8 (0.36) CYP2C8AURKATPX2SCN9AKMT2A
SCHEMBL831906 0.85 SCN9A (0.38) CYP2C8SCN9AKMT2ASCN5ASCN2B

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2197842-B1 2, 3-SUBSTITUTED INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS SCHERING CORP (US) 2012-05-23 EP disclosed
WO-2009032116-A1 2, 3-SUBSTITUTED INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS SCHERING CORPORATION (US) 2009-03-12 WO disclosed