SCHEMBL17548880

SCHEMBL17548880

NS(=O)(=O)NC(=O)c1cc([N+](=O)[O-])c(F)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
SCN9A Q15858 6/20 0.44
ALDH1A1 P00352 1/20 0.44
FLT1 P17948 7/20 0.43
FLT4 P35916 7/20 0.43
KDR P35968 7/20 0.43
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
POLB P06746 1/20 0.41
APEX1 P27695 1/20 0.41
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA3 P07451 1/20 0.39
CA4 P22748 1/20 0.39
CA6 P23280 1/20 0.39
CA5A P35218 1/20 0.39
CA7 P43166 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
SCHEMBL3059734 0.80 SCN9A (0.43) NPC1RAB9ASCN9AFLT1FLT4
SCHEMBL10515182 0.80 POLB (0.49) NPC1RAB9AGAAMAPTHTT
SCHEMBL9878340 0.78 KMT2A (0.53) NPC1RAB9AALDH1A1MAPTPOLB
SCHEMBL1014802 0.76 TSHR (0.44) NPC1RAB9AALDH1A1MAPTHTT
SCHEMBL973982 0.76 NPC1 (0.43) NPC1RAB9AALDH1A1GAAMAPT
SCHEMBL12494124 0.76 HPGD (0.69) NPC1RAB9AALDH1A1GAAMAPT
SCHEMBL31468684 0.75 CA12 (0.46) NPC1RAB9AALDH1A1GAAMAPT
SCHEMBL6586312 0.75 CA12 (0.46) NPC1RAB9AALDH1A1GAAMAPT
SCHEMBL9419239 0.75 NPC1 (0.42) NPC1RAB9AALDH1A1GAAMAPT
Hydrochloric Acid SCHEMBL3983490 0.75 TSHR (0.42) NPC1RAB9AALDH1A1MAPTHTT

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-2537829-B1 Aminobenzoylsulfonamides and their preparation BASF SE (DE) 2016-03-02 EP disclosed