SCHEMBL9123796

SCHEMBL9123796

N#Cc1ccc(CSc2ccc(O)cc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.70
MAOA P21397 5/20 0.70
CA12 O43570 1/20 0.57
CA2 P00918 1/20 0.57
CA3 P07451 1/20 0.57
CA6 P23280 1/20 0.57
CA9 Q16790 1/20 0.57
CA14 Q9ULX7 1/20 0.57
MMP3 P08254 1/20 0.52
IDO1 P14902 2/20 0.50
CYP19A1 P11511 2/20 0.49
CYP2C9 P11712 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
HTT P42858 1/20 0.47
CYP2A6 P11509 1/20 0.47
SIRT2 Q8IXJ6 1/20 0.46
MAPT P10636 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL2489948 1.00 MAOB (0.70) MAOBMAOACA12CA2CA3
SCHEMBL3241580 0.84 MEN1 (0.50) MAOBMAOACA2L3MBTL1MAPT
SCHEMBL3889728 0.82 MAOB (0.70) MAOBMAOACA12CA2CA9
SCHEMBL22572556 0.82 MAOB (0.70) MAOBMAOACYP2C9L3MBTL1HTT
SCHEMBL28514498 0.82 MAOB (0.70) MAOBMAOACYP2C9L3MBTL1HTT
SCHEMBL13319332 0.81 MAOB (0.86) MAOBMAOAIDO1L3MBTL1HTT
SCHEMBL506431 0.81 MAOB (1.00) MAOBMAOACYP2C9L3MBTL1RAB9A
SCHEMBL2707482 0.78 MAOB (1.00) MAOBMAOACYP19A1L3MBTL1HTT
SCHEMBL7311367 0.77 CA12 (0.73) CA12CA2CA3CA6CA9
SCHEMBL3758992 0.77 CA12 (0.73) MAOBMAOACA12CA2CA3

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