SCHEMBL7146607

SCHEMBL7146607

CC(C)(C)OC(=O)Nc1cc(N2CCCC2)c(I)cc1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.44
ALDH1A1 P00352 9/20 0.44
NPSR1 Q6W5P4 2/20 0.43
SMN1; SMN2 Q16637 5/20 0.43
GAA P10253 4/20 0.41
KMT2A Q03164 6/20 0.41
MEN1 O00255 4/20 0.41
L3MBTL1 Q9Y468 4/20 0.40
MAPK1 P28482 2/20 0.40
TDP1 Q9NUW8 3/20 0.40
CASP3 P42574 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
THRB P10828 1/20 0.40
RAB9A P51151 1/20 0.40
HTT P42858 1/20 0.39
POLB P06746 1/20 0.39
CSF1R P07333 1/20 0.39
PKM P14618 1/20 0.39

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
SCHEMBL7143246 0.91 ALDH1A1 (0.45) MAPTALDH1A1SMN1; SMN2GAAL3MBTL1
SCHEMBL7142183 0.90 MAPT (0.38) MAPTALDH1A1NPSR1SMN1; SMN2GAA
SCHEMBL7143311 0.90 ALDH1A1 (0.46) MAPTALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL7148612 0.90 MAPK1 (0.37) MAPTALDH1A1NPSR1SMN1; SMN2GAA
SCHEMBL7148217 0.89 WDR5 (0.37) MAPTALDH1A1NPSR1SMN1; SMN2GAA
SCHEMBL7139645 0.89 MAPT (0.43) MAPTALDH1A1NPSR1SMN1; SMN2KMT2A
SCHEMBL6163733 0.89 MAPT (0.52) MAPTALDH1A1NPSR1SMN1; SMN2GAA
SCHEMBL7142608 0.88 MAPT (0.35) MAPTALDH1A1NPSR1SMN1; SMN2MAPK1
SCHEMBL6164183 0.88 MAPT (0.53) MAPTALDH1A1NPSR1SMN1; SMN2KMT2A
SCHEMBL7139736 0.87 MAPT (0.40) MAPTALDH1A1NPSR1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1224174-B1 BENZODIAZEPINE DERIVATIVES AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2003-09-17 EP disclosed
EP-1224174-A2 BENZODIAZEPINE DERIVATIVES AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2002-07-24 EP disclosed
US-6407094-B1 4-5-DIDEHYDRO-1,5-BENZODIAZEPIN-2-ONE DERIVATIVES; PSYCHOLOGICAL, NERVOUS SYSTEM, AND BRAIN DISORDERS; COGNITION ACTIVATORS; ALZHEIMER*S DISEASE, SCHIZOPHRENIA HOFFMANN-LA ROCHE INC. 2002-06-18 US disclosed
WO-2001029011-A2 BENZODIAZEPINE DERIVATIVES AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2001-04-26 WO disclosed