SCHEMBL7703083

SCHEMBL7703083

CC(C)(C)OC(=O)Nc1cc(N2CCSC(=O)C2=O)c(I)cc1[N+](=O)[O-]

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.33
MAPT P10636 6/20 0.33
NPSR1 Q6W5P4 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.32
POLB P06746 1/20 0.31
GAA P10253 1/20 0.31
MAPK1 P28482 3/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
PKM P14618 1/20 0.31
NPC1 O15118 1/20 0.30
GLA P06280 1/20 0.30
CASP3 P42574 1/20 0.30
HTT P42858 1/20 0.30
RAB9A P51151 1/20 0.30
SENP8 Q96LD8 1/20 0.30
SENP7 Q9BQF6 1/20 0.30
SENP6 Q9GZR1 1/20 0.30

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
SCHEMBL7145848 0.83 ALDH1A1 (0.36) ALDH1A1MAPTNPSR1SMN1; SMN2POLB
SCHEMBL7142183 0.82 MAPT (0.38) ALDH1A1MAPTNPSR1SMN1; SMN2POLB
SCHEMBL7703657 0.82 GRM5 (0.34) ALDH1A1MAPTNPSR1SMN1; SMN2POLB
SCHEMBL7146607 0.81 MAPT (0.44) ALDH1A1MAPTNPSR1SMN1; SMN2POLB
SCHEMBL7143246 0.79 ALDH1A1 (0.45) ALDH1A1MAPTSMN1; SMN2GAAMAPK1
SCHEMBL7143311 0.78 ALDH1A1 (0.46) ALDH1A1MAPTPOLBMAPK1MEN1
SCHEMBL7148612 0.78 MAPK1 (0.37) ALDH1A1MAPTNPSR1SMN1; SMN2POLB
SCHEMBL7139645 0.77 MAPT (0.43) ALDH1A1MAPTNPSR1SMN1; SMN2POLB
SCHEMBL7148217 0.77 WDR5 (0.37) ALDH1A1MAPTNPSR1SMN1; SMN2POLB
SCHEMBL7142608 0.76 MAPT (0.35) ALDH1A1MAPTNPSR1SMN1; SMN2MAPK1

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-A2 BENZODIAZEPINE DERIVATIVES AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2002-07-24 EP disclosed
WO-2001029011-A2 BENZODIAZEPINE DERIVATIVES AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2001-04-26 WO disclosed