SCHEMBL4438665

SCHEMBL4438665

CC(=O)C(C(=O)O)c1c([N+](=O)[O-])ccc(F)c1F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 3/20 0.36
HIF1A Q16665 1/20 0.36
TSHR P16473 1/20 0.36
CASP6 P55212 2/20 0.35
GAA P10253 1/20 0.34
VCAM1 P19320 1/20 0.34
CYP1A2 P05177 1/20 0.34
THRB P10828 1/20 0.34
ITGB1 P05556 1/20 0.34
ITGA5 P08648 1/20 0.34
GRM8 O00222 1/20 0.34
GRM6 O15303 1/20 0.34

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
SCHEMBL4438662 1.00 ATM (0.37) ATMTDP1SMN1; SMN2MEN1LMNA
SCHEMBL2532268 0.85 ALDH1A1 (0.49) ATMTDP1SMN1; SMN2MEN1LMNA
SCHEMBL29434843 0.82 L3MBTL1 (0.40) TDP1SMN1; SMN2MEN1LMNAMAPT
SCHEMBL2530387 0.82 L3MBTL1 (0.40) TDP1SMN1; SMN2MEN1LMNAMAPT
SCHEMBL2532560 0.81 ALDH1A1 (0.35) ATMTDP1SMN1; SMN2LMNAMAPT
SCHEMBL21806057 0.79 HPGD (0.34) TDP1SMN1; SMN2MEN1MAPTHTT
SCHEMBL30365148 0.79 HPGD (0.34) TDP1SMN1; SMN2MEN1MAPTHTT
SCHEMBL3393064 0.77 L3MBTL1 (0.43) TDP1SMN1; SMN2MEN1MAPTKMT2A
SCHEMBL7752147 0.74 MAPT (0.37) ATMTDP1MAPTHTTALDH1A1
SCHEMBL2533200 0.72 ALDH1A1 (0.48) SMN1; SMN2LMNAMAPTALDH1A1HIF1A

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-2129657-A2 PROCESS FOR PREPARING INDOL-5-OXY-QUINAZOLINE DERIVATIVES AND INTERMEDIATES AstraZeneca AB (SE) 2009-12-09 EP disclosed
WO-2008053221-A2 PROCESS FOR PREPARING INDOL- 5 -OXY- QUINAZOLINE DERIVATIVES AND INTERMEDIATES ASTRAZENECA AB (SE) 2008-05-08 WO disclosed