SCHEMBL7148612

SCHEMBL7148612

CC(C)(C)OC(=O)Nc1cc(N2CC=CC2)c(I)cc1[N+](=O)[O-]

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.37
LMNA P02545 3/20 0.37
ALDH1A1 P00352 8/20 0.37
MAPT P10636 8/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
GAA P10253 2/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
GLA P06280 1/20 0.37
CASP3 P42574 1/20 0.37
HTT P42858 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
WDR5 P61964 4/20 0.35
POLB P06746 1/20 0.35
ALOX5 P09917 1/20 0.34
PKM P14618 1/20 0.34

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 0.90 ALDH1A1 (0.45) MAPK1LMNAALDH1A1MAPTSMN1; SMN2
SCHEMBL7146607 0.90 MAPT (0.44) MAPK1ALDH1A1MAPTSMN1; SMN2GAA
SCHEMBL7142183 0.87 MAPT (0.38) MAPK1LMNAALDH1A1MAPTSMN1; SMN2
SCHEMBL7143311 0.87 ALDH1A1 (0.46) MAPK1LMNAALDH1A1MAPTL3MBTL1
SCHEMBL7142608 0.87 MAPT (0.35) MAPK1LMNAALDH1A1MAPTSMN1; SMN2
SCHEMBL7139645 0.86 MAPT (0.43) MAPK1LMNAALDH1A1MAPTSMN1; SMN2
SCHEMBL7148217 0.86 WDR5 (0.37) MAPK1LMNAALDH1A1MAPTSMN1; SMN2
SCHEMBL7139725 0.85 ALDH1A1 (0.47) LMNAALDH1A1MAPTSMN1; SMN2GAA
SCHEMBL7139736 0.84 MAPT (0.40) MAPK1LMNAALDH1A1MAPTNPSR1
SCHEMBL7141821 0.83 MAPT (0.39) MAPK1LMNAALDH1A1MAPTSMN1; SMN2

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-B1 BENZODIAZEPINE DERIVATIVES AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2003-09-17 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