SCHEMBL17857193

SCHEMBL17857193

COc1ccc(-c2cc3cc(C)cc(Br)c3oc2=O)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOB P27338 12/20 1.00
MAOA P21397 1/20 0.67
ADORA3 P0DMS8 3/20 0.57
NPC1 O15118 3/20 0.57
RAB9A P51151 3/20 0.57
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
RXFP1 Q9HBX9 2/20 0.51
MIF P14174 1/20 0.51
SIRT3 Q9NTG7 1/20 0.51
ERAP1 Q9NZ08 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
GPR35 Q9HC97 1/20 0.49
XDH P47989 1/20 0.47
MAPT P10636 1/20 0.47

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
SCHEMBL11297367 0.88 MAOB (0.79) MAOBMAOAADORA3NPC1RAB9A
SCHEMBL17857187 0.88 MAOB (1.00) MAOBMAOAADORA3NPC1RAB9A
SCHEMBL17857186 0.83 MAOB (1.00) MAOBMAOAADORA3NPC1RAB9A
SCHEMBL17843648 0.83 MAOB (0.70) MAOBADORA3NPC1RAB9AMEN1
SCHEMBL17843639 0.82 MAOB (0.69) MAOBMAOAADORA3NPC1RAB9A
SCHEMBL17843641 0.81 MAOB (0.67) MAOBMAOAADORA3NPC1RAB9A
SCHEMBL17857190 0.77 MAOB (1.00) MAOBMAOAADORA3CA1CA2
SCHEMBL20428272 0.75 MAOB (0.67) MAOBMAOAADORA3NPC1RAB9A
SCHEMBL10453916 0.74 MAOB (0.80) MAOBMAOAADORA3NPC1RAB9A
SCHEMBL22129777 0.73 ADORA3 (1.00) MAOBADORA3NPC1RAB9AMEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017103257-A1 MONOAMINE OXIDASE B BINDERS FOR USE IN THE TREATMENT AND THE DIAGNOSTIC OF ALZHEIMER DISEASE CLINO LIMITED (JP) 2017-06-22 WO disclosed
WO-2016097339-A1 LABELLED COUMARIN DERIVATIVES GE HEALTHCARE LIMITED (GB) 2016-06-23 WO disclosed