SCHEMBL28053310

SCHEMBL28053310

NS(=O)(=O)c1cnc(N2CCCCC2)c(-c2cncc(Cl)c2O)c1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SCN10A Q9Y5Y9 10/20 0.44
CNR2 P34972 3/20 0.39
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
APLNR P35414 1/20 0.38
GCK P35557 1/20 0.38
CA12 O43570 2/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA9 Q16790 2/20 0.37
CHRNA7 P36544 1/20 0.36
CYP11B2 P19099 1/20 0.35

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
SCHEMBL28053242 0.78 APLNR (0.43) SCN10AAPLNRCA1CA2CA9
SCHEMBL28053258 0.76 PKM (0.46) ALDH1A1GAAMAPTAPLNRGCK
SCHEMBL28826183 0.75 APLNR (0.40) APLNRCA12CA1CA2CA9
SCHEMBL28053239 0.73 APLNR (0.38) ALDH1A1APLNRCA12CA1CA2
SCHEMBL16235625 0.73 ALDH1A1 (0.42) SCN10AALDH1A1GAAMAPT
SCHEMBL28053322 0.72 APLNR (0.51) ALDH1A1APLNRCA12CA1CA2
SCHEMBL28826194 0.70 SOS1 (0.39) MAPTAPLNRCA12CA1CA2
SCHEMBL28053374 0.70 LRRK2 (0.44) APLNRCA12CA1CA2CA9
SCHEMBL28053327 0.70 APLNR (0.45) APLNRCA12CA1CA2CA9
SCHEMBL16235343 0.69 ALDH1A1 (0.38) ALDH1A1GAAMAPTGCK

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
CN-105377837-A N-(heteroaryl)-sulfonamide derivatives useful as S100-inhibitors ACTIVE BIOTECH AB 2016-03-02 CN claimed
CN-105377837-A N-(heteroaryl)-sulfonamide derivatives useful as S100-inhibitors ACTIVE BIOTECH AB 2016-03-02 CN disclosed