SCHEMBL7142608

SCHEMBL7142608

CC(C)(C)OC(=O)Nc1cc(N2C[C@@H](O)[C@@H](O)C2)c(I)cc1[N+](=O)[O-]

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.35
MAPK1 P28482 3/20 0.35
LMNA P02545 1/20 0.34
ALDH1A1 P00352 4/20 0.33
NPC1 O15118 1/20 0.33
GLA P06280 1/20 0.33
CASP3 P42574 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
RORC P51449 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CSF1R P07333 1/20 0.32
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP9 P14780 1/20 0.32
MMP8 P22894 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
SCHEMBL7139645 0.88 MAPT (0.43) MAPTMAPK1LMNAALDH1A1NPSR1
SCHEMBL7146607 0.88 MAPT (0.44) MAPTMAPK1ALDH1A1CASP3HTT
SCHEMBL7141821 0.88 MAPT (0.39) MAPTMAPK1LMNAALDH1A1NPSR1
SCHEMBL7148612 0.87 MAPK1 (0.37) MAPTMAPK1LMNAALDH1A1NPC1
SCHEMBL7143314 0.86 ALDH1A1 (0.33) MAPTMAPK1LMNAALDH1A1NPSR1
SCHEMBL7143318 0.86 ALDH1A1 (0.33) MAPTMAPK1LMNAALDH1A1NPSR1
SCHEMBL7143246 0.86 ALDH1A1 (0.45) MAPTMAPK1LMNAALDH1A1NPC1
SCHEMBL7142183 0.85 MAPT (0.38) MAPTMAPK1LMNAALDH1A1NPC1
SCHEMBL7143311 0.85 ALDH1A1 (0.46) MAPTMAPK1LMNAALDH1A1CSF1R
SCHEMBL7139736 0.85 MAPT (0.40) MAPTMAPK1LMNAALDH1A1NPSR1

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