SCHEMBL28043906

SCHEMBL28043906

C=C(C(=O)OC(C)(C)C)C(=O)c1cc(F)c([N+](=O)[O-])cc1F

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.34
ESPL1 Q14674 1/20 0.33
ITGB1 P05556 1/20 0.33
ITGA5 P08648 1/20 0.33
ALDH1A1 P00352 6/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ATM Q13315 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HIF1A Q16665 1/20 0.32
CYP1A2 P05177 2/20 0.32
CYP2C9 P11712 2/20 0.32
CYP2C19 P33261 2/20 0.32
GPR174 Q9BXC1 2/20 0.32
LMNA P02545 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
GAA P10253 1/20 0.32
HTT P42858 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
CYP3A4 P08684 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
SCHEMBL27834938 0.81 ATM (0.41) MAPTALDH1A1SMN1; SMN2ATMTDP1
SCHEMBL27552996 0.81 ALDH1A1 (0.39) MAPTALDH1A1SMN1; SMN2TDP1HIF1A
SCHEMBL28791797 0.81 ITGB1 (0.45) MAPTITGB1ITGA5ALDH1A1SMN1; SMN2
SCHEMBL28824450 0.81 ATM (0.41) MAPTITGB1ITGA5ALDH1A1ATM
SCHEMBL16137955 0.81 ITGB1 (0.40) MAPTESPL1ITGB1ITGA5ALDH1A1
SCHEMBL27716643 0.78 CES2 (0.37) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL27570719 0.77 ALDH1A1 (0.45) MAPTALDH1A1SMN1; SMN2TDP1MEN1
SCHEMBL27696887 0.77 HPGD (0.47) MAPTALDH1A1SMN1; SMN2CYP1A2CYP2C19
SCHEMBL27700395 0.76 ALDH1A1 (0.44) MAPTALDH1A1SMN1; SMN2TDP1LMNA
SCHEMBL28043907 0.75 ITGB1 (0.41) MAPTESPL1ITGB1ITGA5ALDH1A1

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
CN-108164513-A Substituted oxo pyridine derivative and its purposes in terms of cardiovascular disorder is treated 拜耳制药股份公司 2018-06-15 CN disclosed
CN-105164122-A Substituted oxopyridine derivatives and their use in the treatment of cardiovascular disorders Bayer Pharma AG 2015-12-16 CN disclosed