SCHEMBL7376458

SCHEMBL7376458

Cc1cc(CCc2ccccc2)c([N+](=O)[O-])c(=O)n1CC(=O)O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.42
ALDH1A1 P00352 4/20 0.42
HTT P42858 3/20 0.42
GAA P10253 2/20 0.42
HPGD P15428 2/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
THRB P10828 1/20 0.40
HSPD1 P10809 1/20 0.39
HSPE1 P61604 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPK1 P28482 1/20 0.39
RCE1 Q9Y256 1/20 0.39
AR P10275 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
CYP3A4 P08684 1/20 0.38
MITF O75030 1/20 0.38
LMNA P02545 1/20 0.38
AGTR1 P30556 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
SCHEMBL7376688 0.80 F2 (0.42) MAPTALDH1A1KDM4EMAPK1RCE1
SCHEMBL7775637 0.79 PTGDR2 (0.41) MAPTALDH1A1HTTMEN1KMT2A
SCHEMBL7771927 0.78 KDM4E (0.44) MAPTALDH1A1HTTGAAHPGD
SCHEMBL8125439 0.77 FPR1 (0.39) ALDH1A1HTTMEN1KMT2AKDM4E
SCHEMBL7771925 0.77 LMNA (0.37) MAPTALDH1A1HTTMEN1KMT2A
SCHEMBL8107158 0.77 IDH1 (0.39) THRB
SCHEMBL8111245 0.76 NPSR1 (0.41) MAPTALDH1A1HTTMEN1KMT2A
SCHEMBL8123028 0.75 F2 (0.44) ALDH1A1KMT2ARAB9ALMNA
SCHEMBL7371665 0.73 F2 (0.49)
SCHEMBL7771930 0.71 SMN1; SMN2 (0.43) MAPTALDH1A1HTTGAAMEN1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2000032574-A1 NOVEL 2-PYRIDONE DERIVATIVES, PREPARATION METHOD AND THERAPEUTIC USE SANOFI-SYNTHELABO (FR) 2000-06-08 WO disclosed