SCHEMBL21767083

SCHEMBL21767083

N#Cc1ccc(CCSN)cc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.55
MAOA P21397 4/20 0.55
LOXL2 Q9Y4K0 2/20 0.54
KCNJ1 P48048 1/20 0.48
KCNH2 Q12809 1/20 0.48
CYP2A6 P11509 1/20 0.48
IDO1 P14902 2/20 0.47
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.41
HTT P42858 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA4 P22748 1/20 0.41
CA9 Q16790 1/20 0.41
HDAC8 Q9BY41 1/20 0.40
CYP19A1 P11511 1/20 0.40
DAO P14920 1/20 0.40

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
SCHEMBL1004267 0.79 LOXL2 (0.64) MAOBMAOALOXL2KCNJ1KCNH2
SCHEMBL22184542 0.79 MAOB (0.55) MAOBMAOALOXL2KCNJ1KCNH2
SCHEMBL6960019 0.76 MAOB (0.66) MAOBMAOALOXL2KCNJ1KCNH2
SCHEMBL929380 0.76 LOXL2 (0.67) MAOBMAOALOXL2KCNJ1KCNH2
SCHEMBL10569888 0.75 TSHR (0.68) MAOBMAOALOXL2KCNJ1KCNH2
SCHEMBL9640908 0.75 TSHR (0.62) MAOBMAOALOXL2KCNJ1KCNH2
SCHEMBL19865649 0.75 TSHR (0.57) MAOBMAOALOXL2KCNJ1KCNH2
SCHEMBL11617640 0.74 LOXL2 (0.52) MAOBMAOALOXL2KCNJ1KCNH2
Hydrochloric Acid SCHEMBL2588394 0.74 LOXL2 (0.64) MAOBMAOALOXL2KCNJ1KCNH2
Bromide SCHEMBL28682315 0.74 LOXL2 (0.64) MAOBMAOALOXL2KCNJ1KCNH2

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-3300500-B1 TRIAZOLE AGONISTS OF THE APJ RECEPTOR AMGEN INC (US) 2020-02-26 EP disclosed