SCHEMBL8779814

SCHEMBL8779814

N#Cc1ccc(SCCl)cc1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOB P27338 10/20 0.56
MAOA P21397 9/20 0.56
CYP2A6 P11509 2/20 0.41
LOXL2 Q9Y4K0 2/20 0.41
ALDH1A1 P00352 1/20 0.41
CA12 O43570 1/20 0.41
CA2 P00918 1/20 0.41
CA3 P07451 1/20 0.41
CA6 P23280 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
CYP19A1 P11511 2/20 0.39
TSHR P16473 1/20 0.39
IDO1 P14902 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
SCHEMBL8665630 0.84 MAOB (0.44) MAOBMAOACA12CA2CA9
SCHEMBL10681517 0.79 MAOB (0.56) MAOBMAOAALDH1A1CYP19A1
SCHEMBL507156 0.77 MAOB (0.55) MAOBMAOACYP2A6LOXL2ALDH1A1
SCHEMBL13791015 0.77 MAOB (0.55) MAOBMAOACYP2A6LOXL2ALDH1A1
SCHEMBL9696325 0.77 MAOB (0.56) MAOBMAOACYP2A6LOXL2ALDH1A1
SCHEMBL28538405 0.77 MAOB (0.56) MAOBMAOACYP2A6LOXL2ALDH1A1
SCHEMBL16841034 0.76 MAOB (0.53) MAOBMAOACYP2A6LOXL2CA12
SCHEMBL10821188 0.74 MAOB (0.52) MAOBMAOACYP2A6LOXL2ALDH1A1
SCHEMBL1017349 0.74 MAOB (0.59) MAOBMAOACYP2A6LOXL2ALDH1A1
SCHEMBL1018040 0.74 MAOB (0.59) MAOBMAOACYP2A6CA12CA2

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