SCHEMBL28077291

SCHEMBL28077291

Nc1ccc(S(N)(=O)=O)c(-c2ccc3ccncc3c2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCZ Q05513 1/20 0.57
PRKCI P41743 1/20 0.41
TDO2 P48775 1/20 0.41
F10 P00742 1/20 0.41
PIK3CD O00329 3/20 0.40
PIK3CB P42338 3/20 0.40
PIK3CG P48736 3/20 0.40
PIK3CA P42336 2/20 0.39
ABL1 P00519 1/20 0.39
ALOX5AP P20292 2/20 0.39
FEN1 P39748 2/20 0.39
IKBKB O14920 3/20 0.38
CA12 O43570 2/20 0.38
CA2 P00918 2/20 0.38
CA9 Q16790 2/20 0.38
CA14 Q9ULX7 2/20 0.38
CA1 P00915 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37

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
Fumaric Acid SCHEMBL28077289 0.90 PRKCZ (0.47) PRKCZF10CYP3A4
SCHEMBL11882155 0.79 AKT1 (0.44) PIK3CBPIK3CAALOX5APFEN1IKBKB
SCHEMBL2887108 0.77 PRKCZ (0.64) PRKCZPRKCITDO2PIK3CDPIK3CB
Hydrochloric Acid SCHEMBL2891147 0.76 PRKCZ (0.62) PRKCZPRKCITDO2PIK3CDPIK3CB
SCHEMBL671916 0.76 CA1 (0.50) F10ALOX5APFEN1CA12CA2
SCHEMBL28077283 0.75 ALDH1A1 (0.45) ALOX5APFEN1CA12CA2CA9
SCHEMBL7698483 0.75 KDM4E (0.56) PIK3CDPIK3CBROCK1
SCHEMBL30279711 0.74 PRKCZ (0.71) PRKCZIKBKBCYP1A2CYP3A4CYP2D6
SCHEMBL116102 0.74 PRKCZ (0.71) PRKCZIKBKBCYP1A2CYP3A4CYP2D6
SCHEMBL29450635 0.70 PRKCZ (0.72) PRKCZPRKCITDO2PIK3CDPIK3CB

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-105764510-A An H3 receptor antagonist combined with a cholinesterase inhibitor for use in the treatment of alzheimer's disease 赛诺菲 2016-07-13 CN disclosed