SCHEMBL3976536

SCHEMBL3976536

CC(=O)OCC(=O)OOc1ccc(F)cc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.41
MAOA P21397 2/20 0.41
AOC2 O75106 1/20 0.41
DAO P14920 1/20 0.41
ALDH1A1 P00352 3/20 0.41
KLK7 P49862 1/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
MAPT P10636 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 2/20 0.36
GAA P10253 2/20 0.36
RAB9A P51151 2/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 2/20 0.35
PKM P14618 1/20 0.35

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
SCHEMBL3725791 0.80 MAOB (0.43) MAOBMAOAALDH1A1SMN1; SMN2GAA
SCHEMBL27584331 0.79 MAOB (0.42) MAOBMAOAAOC2DAOMEN1
SCHEMBL5066069 0.78 SMN1; SMN2 (0.41) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL9943585 0.72 ALDH1A1 (0.62) ALDH1A1KMT2AMAPTNPC1RAB9A
SCHEMBL12818123 0.72 MAOB (0.51) MAOBMAOAALDH1A1MEN1KMT2A
SCHEMBL7365892 0.71 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2GAARAB9ALMNA
SCHEMBL8069884 0.69 LMNA (0.55) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL13034072 0.69 POLB (0.55) MAOBALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL4646407 0.69 MAPT (0.51) MAOBMAOAAOC2DAOALDH1A1
Ethyl Acetate SCHEMBL27956511 0.69 HPGD (0.52) MAOBMAOAALDH1A1KLK7MEN1

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-2057164-A1 TRIAZOLOTRIAZINES AS KINASE INHIBITORS Incyte Corporation (US) 2009-05-13 EP disclosed
WO-2008021781-A1 TRIAZOLOTRIAZINES AS KINASE INHIBITORS INCYTE CORPORATION (US) 2008-02-21 WO disclosed