SCHEMBL7902160

SCHEMBL7902160

Cn1c(=O)n(-c2ccc(OCc3ccc(Cl)cc3)cc2F)c[n+]1[O-]

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAOB P27338 15/20 0.48
MAOA P21397 13/20 0.48
SRD5A1 P18405 1/20 0.40
ACHE P22303 1/20 0.39
MCHR1 Q99705 3/20 0.39
KCNH2 Q12809 1/20 0.39

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
SCHEMBL9114664 0.73 MAOB (0.47) MAOBMAOASRD5A1ACHEMCHR1
SCHEMBL8525104 0.72 MAOB (0.51) MAOBMAOASRD5A1MCHR1KCNH2
SCHEMBL8523914 0.72 MAOB (0.46) MAOBMAOASRD5A1ACHEMCHR1
SCHEMBL8524960 0.71 MAOB (0.50) MAOBMAOASRD5A1MCHR1KCNH2
SCHEMBL8524954 0.71 MAOB (0.49) MAOBMAOASRD5A1MCHR1KCNH2
SCHEMBL8525105 0.71 MAOB (0.49) MAOBMAOASRD5A1MCHR1KCNH2
SCHEMBL8524033 0.71 MAOB (0.47) MAOBMAOASRD5A1MCHR1KCNH2
SCHEMBL31419925 0.66 MAOB (0.54) MAOBMAOASRD5A1ACHE
SCHEMBL31419928 0.66 MAOB (0.54) MAOBMAOASRD5A1ACHE
SCHEMBL9114209 0.66 MAOB (0.56) MAOBMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6200935-B1 FOR CONTROLLING UNDESIRABLE PLANTS BAYER AKTIENGESELLSCHAFT (DE) 2001-03-13 US disclosed
EP-0968195-A1 ARYLALKYLTRIAZOLE DERIVATIVES AND THEIR USE AS HERBICIDES Bayer Aktiengesellschaft (DE) 2000-01-05 EP disclosed
WO-1998032745-A1 ARYLALKYLTRIAZOLE DERIVATIVES AND THEIR USE AS HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1998-07-30 WO disclosed