SCHEMBL8779823

SCHEMBL8779823

O=[N+]([O-])c1ccc([S+]([O-])CCl)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.44
ALDH1A1 P00352 5/20 0.43
HSD17B10 Q99714 3/20 0.43
ACHE P22303 1/20 0.43
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41
CES1 P23141 1/20 0.41
CYP2C19 P33261 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
MAPT P10636 1/20 0.40
IDO1 P14902 1/20 0.40
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA12 O43570 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
SCHEMBL8666805 0.88 CA2 (0.43) LOXL2ALDH1A1CA1CA2CA12
SCHEMBL9163773 0.80 LOXL2 (0.44) LOXL2ALDH1A1HSD17B10ACHELMNA
SCHEMBL2303355 0.80 MAPT (0.48) LOXL2ALDH1A1HSD17B10ACHELMNA
SCHEMBL3581283 0.77 TSHR (0.52) LOXL2ALDH1A1HSD17B10ACHETSHR
SCHEMBL2889414 0.77 ALDH1A1 (0.48) LOXL2ALDH1A1HSD17B10ACHELMNA
SCHEMBL1576857 0.76 ALDH1A1 (0.52) LOXL2ALDH1A1HSD17B10ACHELMNA
SCHEMBL23092642 0.76 HSD17B10 (0.44) LOXL2ALDH1A1HSD17B10ACHELMNA
SCHEMBL11143750 0.74 LOXL2 (0.47) LOXL2ALDH1A1HSD17B10ACHELMNA
SCHEMBL6913017 0.74 MAPK1 (0.50) ALDH1A1HSD17B10ACHETSHRCES1
SCHEMBL11142155 0.74 TSHR (0.49) LOXL2ALDH1A1HSD17B10ACHETSHR

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-0770599-A1 PROCESS FOR THE PREPARATION OF AROMATIC OR HETEROAROMATIC SULFONYL HALIDES SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 1997-05-02 EP disclosed