SCHEMBL8580565

SCHEMBL8580565

O=c1n(CCCF)nnn1-c1ccc(OCc2ccc(F)cc2)cc1F

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOB P27338 16/20 0.42
MAOA P21397 8/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
PKM P14618 1/20 0.40
CYP2C19 P33261 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
GRM5 P41594 1/20 0.39
ACHE P22303 2/20 0.37
KCNH2 Q12809 1/20 0.37
MCHR1 Q99705 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37

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
SCHEMBL8815669 0.91 MAOB (0.41) MAOBMAOAKCNH2MCHR1HRH3
SCHEMBL8582752 0.78 ESR1 (0.40)
SCHEMBL8811845 0.78 MAOB (0.41) MAOBMAOAMEN1NPC1CYP1A2
SCHEMBL10418842 0.76 ALDH1A1 (0.33)
SCHEMBL8580546 0.74 MAOB (0.47) MAOBMAOAMEN1NPC1CYP1A2
SCHEMBL10420155 0.72 ALDH1A1 (0.44) MEN1NPC1CYP1A2KMT2A
SCHEMBL10419160 0.71 L3MBTL1 (0.32)
SCHEMBL10521922 0.70 NPBWR1 (0.34) MCHR1
SCHEMBL9730274 0.69 BRD4 (0.31)
SCHEMBL8813759 0.68 MAOB (0.47) MAOBMAOAMEN1NPC1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5798316-A GRASS OR BROADLEAF CONTROLLING AGENTS FMC CORPORATION 1998-08-25 US disclosed
US-5674810-A MIXTURE OF TWO HERBICIDES WITH DIFFERENT STRUCTURES, CARRIER FMC CORPORATION (US) 1997-10-07 US disclosed
EP-0656892-A1 HERBICIDAL 2- (4-HETEROCYCLIC-PHENOXYMETHYL)PHENOXY]-ALKANOATES FMC CORPORATION (US) 1995-06-14 EP disclosed
US-5344812-A 1-methyl-6 -trifluoromethyl-2,4-pyrimidinedione-3-yl derivative as plant growth regulators FMC CORPORATION (US) 1994-09-06 US disclosed
WO-1994004514-A1 HERBICIDAL 2-[(4-HETEROCYCLIC-PHENOXYMETHYL)PHENOXY]-ALKANOATES FMC CORPORATION (US) 1994-03-03 WO disclosed
US-5262390-A PLANT GROWTH REGULATORS FMC CORPORATION (US) 1993-11-16 US disclosed