SCHEMBL7140140

SCHEMBL7140140

Cc1cc(NC(=O)OC(C)(C)C)c([N+](=O)[O-])cc1C#Cc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.43
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
HTT P42858 3/20 0.40
MAPK1 P28482 3/20 0.40
ALDH1A1 P00352 2/20 0.40
GLA P06280 1/20 0.40
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
KMT2A Q03164 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
BRD9 Q9H8M2 1/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
RECQL P46063 1/20 0.37
KCNMA1 Q12791 1/20 0.37

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
SCHEMBL7142921 0.88 NPC1 (0.39) MAPTNPC1RAB9AHTTMAPK1
SCHEMBL7138026 0.88 MAPT (0.41) MAPTNPC1RAB9AHTTMAPK1
SCHEMBL7144458 0.87 ALDH1A1 (0.38) MAPTNPC1RAB9AHTTMAPK1
SCHEMBL6165164 0.87 NPC1 (0.38) MAPTNPC1RAB9AHTTMAPK1
SCHEMBL6167226 0.87 NPC1 (0.38) MAPTNPC1RAB9AHTTMAPK1
SCHEMBL5869163 0.84 NPC1 (0.48) MAPTNPC1RAB9AHTTMAPK1
SCHEMBL7141833 0.84 LMNA (0.39) MAPTNPC1RAB9AHTTMAPK1
SCHEMBL7142233 0.84 PDGFRB (0.37) MAPTNPC1RAB9AHTTMAPK1
SCHEMBL7148597 0.83 MMP2 (0.38) MAPTNPC1RAB9AHTTMAPK1
SCHEMBL7146883 0.83 NPC1 (0.36) MAPTNPC1RAB9AHTTMAPK1

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