SCHEMBL6204627

SCHEMBL6204627

Nc1cccc(COc2ccc(F)nc2)c1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOB P27338 10/20 0.55
ACHE P22303 1/20 0.48
APP P05067 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
MAOA P21397 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MRGPRX4 Q96LA9 2/20 0.43
AS3MT Q9HBK9 1/20 0.43
CYP2D6 P10635 1/20 0.43

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
SCHEMBL21480409 0.81 MAOB (0.71) MAOBAPPGAAMAPTMAOA
SCHEMBL113439 0.80 P4HTM (0.58) MAOBHDAC6GAAMAPTMAOA
SCHEMBL6078442 0.77 NOS1 (0.60) MAOBACHEAPPMAPTRAB9A
SCHEMBL17554431 0.76 LMNA (0.61) MAOBACHEAPPHDAC6GAA
SCHEMBL631673 0.75 MAOB (0.79) MAOBAPPGAAMAPTMAOA
SCHEMBL31114416 0.75 MAOB (0.79) MAOBAPPGAAMAPTMAOA
SCHEMBL21480309 0.74 MAOB (0.64) MAOBACHEGAAMAPTMAOA
SCHEMBL13745098 0.74 MRGPRX4 (0.62) MAOBACHEGAAMAPTMAOA
SCHEMBL6079701 0.74 GRM5 (0.37) MAOB
SCHEMBL19277075 0.73 CYP4F2 (0.76)

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
EP-1545523-A1 3-&-grave;(HETERO) ARYLMETHOXY ! PYRIDINES AND THEIR ANALOGUES ASP38 MAP KINASE INHIBITORS Astex Technology Limited (GB) 2005-06-29 EP disclosed
WO-2004004720-A1 3-`(HETERO) ARYLMETHOXY ! PYRIDINES AND THEIR ANALOGUES AS P38 MAP KINASE INHIBITORS ASTEX TECHNOLOGY LIMITED (GB) 2004-01-15 WO disclosed