SCHEMBL7142233

SCHEMBL7142233

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 1/20 0.37
FGFR1 P11362 1/20 0.37
PDGFRA P16234 1/20 0.37
FLT1 P17948 1/20 0.37
FGFR3 P22607 1/20 0.37
KDR P35968 1/20 0.37
MMP2 P08253 1/20 0.37
MMP9 P14780 1/20 0.37
NPC1 O15118 3/20 0.36
MAPK1 P28482 3/20 0.36
RAB9A P51151 3/20 0.36
ALDH1A1 P00352 2/20 0.36
HTT P42858 2/20 0.36
GLA P06280 1/20 0.36
CASP3 P42574 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
MAPT P10636 4/20 0.36
SMN1; SMN2 Q16637 3/20 0.36

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
SCHEMBL6167226 0.89 NPC1 (0.38) MMP2MMP9NPC1MAPK1RAB9A
SCHEMBL7148597 0.88 MMP2 (0.38) MMP2MMP9NPC1MAPK1RAB9A
SCHEMBL7141833 0.87 LMNA (0.39) MMP2MMP9NPC1MAPK1RAB9A
SCHEMBL7146883 0.86 NPC1 (0.36) MMP2MMP9NPC1MAPK1RAB9A
SCHEMBL7143834 0.84 ALDH1A1 (0.46) NPC1MAPK1RAB9AALDH1A1HTT
SCHEMBL7138026 0.84 MAPT (0.41) MMP2MMP9NPC1MAPK1RAB9A
SCHEMBL7143096 0.84 PTGES (0.37) HTTPTGES
SCHEMBL7140140 0.84 MAPT (0.43) NPC1MAPK1RAB9AALDH1A1HTT
SCHEMBL7146760 0.84 ALDH1A1 (0.39) NPC1MAPK1RAB9AALDH1A1HTT
SCHEMBL7144458 0.83 ALDH1A1 (0.38) NPC1MAPK1RAB9AALDH1A1HTT

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