SCHEMBL7142183

SCHEMBL7142183

CC(C)(C)OC(=O)Nc1cc(N2CCSCC2)c(I)cc1[N+](=O)[O-]

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.38
THRB P10828 1/20 0.38
BCL2L2 Q92843 1/20 0.36
LMNA P02545 2/20 0.36
MAPK1 P28482 2/20 0.36
ALDH1A1 P00352 9/20 0.35
NPSR1 Q6W5P4 1/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
GAA P10253 2/20 0.34
TP53 P04637 1/20 0.34
POLB P06746 1/20 0.34
WDR5 P61964 1/20 0.34
PKM P14618 1/20 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

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
SCHEMBL7146607 0.90 MAPT (0.44) MAPTTHRBMAPK1ALDH1A1NPSR1
SCHEMBL7143246 0.88 ALDH1A1 (0.45) MAPTLMNAMAPK1ALDH1A1SMN1; SMN2
SCHEMBL7143311 0.87 ALDH1A1 (0.46) MAPTLMNAMAPK1ALDH1A1MEN1
SCHEMBL7148612 0.87 MAPK1 (0.37) MAPTLMNAMAPK1ALDH1A1NPSR1
SCHEMBL7148217 0.86 WDR5 (0.37) MAPTLMNAMAPK1ALDH1A1NPSR1
SCHEMBL7139645 0.86 MAPT (0.43) MAPTLMNAMAPK1ALDH1A1NPSR1
SCHEMBL6437295 0.85 MAPT (0.42) MAPTTHRBBCL2L2LMNAMAPK1
SCHEMBL6439266 0.85 SERPINE1 (0.42) MAPTTHRBBCL2L2LMNAPOLB
SCHEMBL7142608 0.85 MAPT (0.35) MAPTLMNAMAPK1ALDH1A1NPSR1
SCHEMBL7139736 0.85 MAPT (0.40) MAPTLMNAMAPK1ALDH1A1NPSR1

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