SCHEMBL9123789

SCHEMBL9123789

N#Cc1ccc(CSc2ccccc2O)cc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.56
MAOA P21397 5/20 0.56
IDO1 P14902 2/20 0.47
RAB9A P51151 2/20 0.46
DAO P14920 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
HTT P42858 1/20 0.45
CYP2A6 P11509 1/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
LMNA P02545 1/20 0.43
TSHR P16473 1/20 0.43
CTSB P07858 1/20 0.43

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
SCHEMBL7445486 0.80 MAOB (0.56) MAOBMAOAIDO1RAB9AL3MBTL1
SCHEMBL77392 0.80 POLB (0.61) MAOBMAOAIDO1DAOL3MBTL1
SCHEMBL23235819 0.78 MAOB (0.58) MAOBMAOAIDO1RAB9ADAO
SCHEMBL3761102 0.77 MAOA (0.60) MAOBMAOACA12CA2CA9
SCHEMBL8746035 0.77 APP (0.46) DAOL3MBTL1
SCHEMBL9124039 0.77 POLB (0.44) MAOBIDO1RAB9ADAOL3MBTL1
SCHEMBL8746047 0.77 MAPK1 (0.49) MAOBMAOAIDO1RAB9ADAO
SCHEMBL8746055 0.77 MEN1 (0.48) MAOBMAOAIDO1RAB9ADAO
SCHEMBL13319332 0.75 MAOB (0.86) MAOBMAOAIDO1RAB9AL3MBTL1
SCHEMBL11356737 0.74 KDR (0.48) RAB9ADAOL3MBTL1HTTCA12

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-5424194-A Chemiluminescence SANYO CHEMICAL INDUSTRIES, LTD. (JP) 1995-06-13 US disclosed