SCHEMBL1809286

SCHEMBL1809286

Nc1ncccc1-c1nn[nH]c1Cc1ccc(OCc2ccc(F)c(F)c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 1/20 0.40
MAOB P27338 9/20 0.38
MAOA P21397 2/20 0.38
PPARA Q07869 1/20 0.36
CYP4F2 P78329 4/20 0.35
CYP4A11 Q02928 4/20 0.35
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
NOS1 P29475 1/20 0.34
NOS2 P35228 1/20 0.34
MAPT P10636 1/20 0.34
ACHE P22303 1/20 0.32

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
SCHEMBL1809772 0.89 MAOB (0.48) IGF1RMAOBMAOA
SCHEMBL1805275 0.81 NPC1 (0.48) NPC1RAB9A
SCHEMBL1809893 0.79 LMNA (0.44) NPC1RAB9AMAPT
SCHEMBL1808810 0.72 TEK (0.45) MAOBMAOA
SCHEMBL6079682 0.69 NPC1 (0.65) IGF1RMAOBMAOANPC1RAB9A
SCHEMBL5382147 0.67 MAOB (0.66) MAOBMAOARAB9AMAPT
SCHEMBL1808855 0.66 MAPK1 (0.52) RAB9AMAPT
SCHEMBL624562 0.66 MAOB (0.62) MAOB
SCHEMBL18003995 0.65 IGF1R (0.43) IGF1RMAOBMAOAPPARAMAPT
SCHEMBL1734090 0.65 LTA4H (0.46) MAOBMAOANPC1RAB9AMAPT

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
WO-2011051198-A2 PYRIDINE DERIVATIVES AS AGRICULTURAL PESTICIDES BAYER CROPSCIENCE AG (DE) 2011-05-05 WO disclosed