SCHEMBL4367628

SCHEMBL4367628

CC(C)(C)OC(=O)NCCC(=O)c1cc(F)cc(F)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.43
KDM4E B2RXH2 3/20 0.42
GAA P10253 2/20 0.42
ALDH1A1 P00352 1/20 0.42
GLA P06280 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
HIF1A Q16665 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
POLB P06746 1/20 0.39
BCHE P06276 1/20 0.39
NQO2 P16083 1/20 0.39
CA1 P00915 6/20 0.39
CA2 P00918 6/20 0.39
CA12 O43570 3/20 0.39
CA9 Q16790 3/20 0.39
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
NPC1 O15118 1/20 0.38

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
SCHEMBL6239081 0.86 CTSS (0.44) KDM4EGAAALDH1A1GLAMAPT
SCHEMBL942893 0.79 IDO1 (0.51) TDP1KDM4EGAAALDH1A1MAPT
SCHEMBL5117803 0.79 CA1 (0.46) TDP1KDM4EGAAALDH1A1MAPT
SCHEMBL2241024 0.79 CA1 (0.48) TDP1KDM4EGAAMAPTHPGD
SCHEMBL2705787 0.78 TDP1 (0.49) TDP1KDM4EGAAMAPTMEN1
SCHEMBL17821086 0.78 CYP3A4 (0.43) TDP1KDM4EGAAALDH1A1HPGD
SCHEMBL24350075 0.77 NPC1 (0.54) TDP1GAAMEN1KMT2APOLB
SCHEMBL10086759 0.77 CA12 (0.56) TDP1GAAMEN1KMT2ABCHE
SCHEMBL2166736 0.76 NQO2 (0.56) TDP1KDM4EGAAALDH1A1GLA
SCHEMBL16079979 0.76 CTNNB1 (0.49) KDM4EGAAALDH1A1GLAMAPT

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-2114158-A1 3-SUBSTITUTED-[1,2,3]BENZOTRIAZINONE COMPOUNDS FOR ENHANCING GLUTAMATERGIC SYNAPTIC RESPONSES CORTEX PHARMACEUTICALS, INC. (US) 2009-11-11 EP disclosed
WO-2008085505-A1 3-SUBSTITUTED-[1,2,3]BENZOTRIAZINONE COMPOUNDS FOR ENHANCING GLUTAMATERGIC SYNAPTIC RESPONSES CORTEX PHARMACEUTICALS, INC. (US) 2008-07-17 WO disclosed