SCHEMBL11284232

SCHEMBL11284232

CCOc1ccccc1-c1c(S(C)(=O)=O)ccc[n+]1[O-]

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 4/20 0.41
PTPRC P08575 1/20 0.41
LOX P28300 1/20 0.39
CTSG P08311 1/20 0.39
KLK7 P49862 1/20 0.39
KLK14 Q9P0G3 1/20 0.39
KLK5 Q9Y337 1/20 0.39
PTGES2 Q9H7Z7 1/20 0.39
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
KMT2A Q03164 1/20 0.37
ALDH1A1 P00352 4/20 0.36
HPGD P15428 2/20 0.36
MAPT P10636 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
BRD4 O60885 1/20 0.36
HTT P42858 1/20 0.36
P2RY2 P41231 1/20 0.35
CTDSP1 Q9GZU7 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
SCHEMBL12125057 0.76 ALDH1A1 (0.48) PTPRCCTSGKLK7KLK14KLK5
SCHEMBL11112493 0.72 PDE5A (0.45) DRD1PTPRCCTSGKLK7KLK14
SCHEMBL10703200 0.70 ALDH1A1 (0.41) MEN1KMT2AALDH1A1MAPTTDP1
SCHEMBL27518574 0.69 CA1 (0.50) DRD1PTPRCPTGES2MEN1NPC1
SCHEMBL14601547 0.68 GRK6 (0.41) CTSGKLK7KLK14KLK5PTGES2
SCHEMBL198911 0.68 ALDH1A1 (0.60) PTPRCALDH1A1HPGDMAPTTDP1
SCHEMBL7108847 0.67 ALDH1A1 (0.50) PTPRCPTGES2ALDH1A1MAPTHTT
SCHEMBL11107877 0.67 LMNA (0.37) MEN1KMT2A
SCHEMBL4757503 0.66 ALDH1A1 (0.46) PTPRCPTGES2ALDH1A1MAPTHTT
SCHEMBL9114761 0.66 ALDH1A1 (0.48) PTPRCPTGES2MEN1KMT2AALDH1A1

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
US-4360677-A Herbicidal 2-(alpha-chloromethylsulfonyl) pyridine-1-oxides UNIROYAL, INC. (US) 1982-11-23 US disclosed