SCHEMBL9550408

SCHEMBL9550408

BrCc1cccc2cc(-c3ccccc3)oc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.58
MAOA P21397 4/20 0.58
NPC1 O15118 1/20 0.58
RAB9A P51151 1/20 0.58
PTGES O14684 1/20 0.44
CYP19A1 P11511 2/20 0.43
CYP1A2 P05177 3/20 0.42
CYP1A1 P04798 2/20 0.42
CYP1B1 Q16678 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2D6 P10635 2/20 0.42
CYP2C19 P33261 2/20 0.42
KDM4E B2RXH2 1/20 0.42
PDE5A O76074 1/20 0.42
ALDH1A1 P00352 1/20 0.42
TP53 P04637 1/20 0.42
ABCB1 P08183 1/20 0.42
MAPT P10636 1/20 0.42
CYP2C9 P11712 1/20 0.42
HPGD P15428 1/20 0.42

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
SCHEMBL10573839 0.83 MAOB (0.58) MAOBMAOANPC1RAB9APTGES
SCHEMBL8677842 0.83 MAOA (0.58) MAOBMAOANPC1RAB9APTGES
SCHEMBL5123575 0.83 MAOB (0.58) MAOBMAOANPC1RAB9APTGES
SCHEMBL9550475 0.80 MAOA (0.54) MAOBMAOANPC1RAB9APTGES
SCHEMBL9550418 0.80 ESR1 (0.55) MAOBMAOANPC1RAB9APTGES
SCHEMBL30892693 0.75 MAOA (0.66) MAOBMAOANPC1RAB9APTGES
SCHEMBL9550442 0.74 MAOA (0.51) MAOBMAOANPC1RAB9ACYP19A1
SCHEMBL11732417 0.74 MAOB (1.00) MAOBMAOANPC1RAB9APTGES
SCHEMBL11735857 0.74 NPC1 (0.69) MAOBMAOANPC1RAB9APTGES
SCHEMBL8154245 0.74 NPC1 (1.00) MAOBMAOANPC1RAB9APTGES

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-5182295-A Miticides, fungicides ROUSSEL UCLAF (FR) 1993-01-26 US disclosed