SCHEMBL7700536

SCHEMBL7700536

O=C(O)Nc1cc(N2CCSC(=O)C2=O)c(C#Cc2ccccc2)cc1[N+](=O)[O-]

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.33
MAPT P10636 6/20 0.33
ALDH1A1 P00352 7/20 0.33
POLB P06746 1/20 0.33
HTT P42858 1/20 0.32
PKM P14618 1/20 0.32
KMT2A Q03164 4/20 0.32
L3MBTL1 Q9Y468 3/20 0.32
MEN1 O00255 3/20 0.32
TDP1 Q9NUW8 2/20 0.32
CYP1A2 P05177 1/20 0.32
HCAR3 P49019 1/20 0.31
MAPK1 P28482 2/20 0.31
LMNA P02545 2/20 0.31
GAA P10253 2/20 0.31
ALOX12 P18054 1/20 0.31
NPC1 O15118 1/20 0.31
TP53 P04637 1/20 0.31
APP P05067 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
SCHEMBL7703657 0.88 GRM5 (0.34) GRM5SMN1; SMN2MAPTALDH1A1POLB
SCHEMBL7700573 0.79 ALDH1A1 (0.53) GRM5SMN1; SMN2MAPTALDH1A1POLB
SCHEMBL7147535 0.72 GRM5 (0.40) GRM5SMN1; SMN2MAPTALDH1A1HTT
SCHEMBL6610351 0.71 MAPT (0.42) SMN1; SMN2MAPTALDH1A1POLBHTT
SCHEMBL7145867 0.69 WDR5 (0.44) GRM5SMN1; SMN2MAPTALDH1A1POLB
SCHEMBL7140578 0.68 ALDH1A1 (0.47) SMN1; SMN2MAPTALDH1A1POLBPKM
SCHEMBL7139831 0.67 GRM5 (0.39) GRM5SMN1; SMN2MAPTALDH1A1HTT
SCHEMBL7698583 0.67 FFAR1 (0.43) SMN1; SMN2MAPTPOLBHTTPKM
SCHEMBL7142627 0.66 GRM5 (0.38) GRM5SMN1; SMN2MAPTALDH1A1HTT
SCHEMBL7145991 0.65 ALDH1A1 (0.44) GRM5SMN1; SMN2MAPTALDH1A1POLB

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