SCHEMBL7702828

SCHEMBL7702828

O=C(O)Nc1cc(N2CCOC2=O)c(-c2ccc(F)cc2)cc1[N+](=O)[O-]

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
ALDH1A1 P00352 5/20 0.36
HDAC1 Q13547 4/20 0.36
HDAC2 Q92769 4/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
MAPK1 P28482 2/20 0.35
ABL1 P00519 1/20 0.35
BCL2L1 Q07817 1/20 0.34
HDAC3 O15379 2/20 0.34
POLB P06746 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
NR1I2 O75469 1/20 0.34
KCNH2 Q12809 1/20 0.34
GRM2 Q14416 1/20 0.34
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL7141823 0.86 MMP8 (0.35) HDAC1HDAC2ABL1
SCHEMBL7145400 0.71 HDAC2 (0.43) HDAC1HDAC2ABL1HDAC3
SCHEMBL25214665 0.70 ABCC1 (0.55) MAPTALDH1A1L3MBTL1MAPK1TDP1
SCHEMBL4457378 0.68 THRB (0.43) MAPTMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL6166846 0.68 MAPT (0.59) MAPTALDH1A1L3MBTL1MAPK1TDP1
SCHEMBL7139674 0.68 ALDH1A1 (0.44) MAPTMEN1KMT2AALDH1A1HTT
SCHEMBL29805778 0.67 KMT2A (0.52) MAPTMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL7703580 0.67 HCAR3 (0.38) MAPTMEN1KMT2AALDH1A1HDAC1
SCHEMBL7698568 0.67 ALDH1A1 (0.43) MAPTMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL7698560 0.67 DHODH (0.38) MAPTMEN1KMT2AALDH1A1L3MBTL1

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-1224174-A2 BENZODIAZEPINE DERIVATIVES AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2002-07-24 EP disclosed
WO-2001029011-A2 BENZODIAZEPINE DERIVATIVES AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2001-04-26 WO disclosed