SCHEMBL7467490

SCHEMBL7467490

COCOc1cc(F)ccc1-c1ccc(NC(=O)O)c([N+](=O)[O-])c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 8/20 0.46
ABCC1 P33527 7/20 0.46
MAPT P10636 5/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
MAPK1 P28482 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ALDH1A1 P00352 3/20 0.41
EGFR P00533 1/20 0.41
KCNMA1 Q12791 1/20 0.40
PKM P14618 1/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL5869093 0.88 ABCB1 (0.42) ABCB1ABCC1MAPTL3MBTL1MAPK1
SCHEMBL7464046 0.81 MAPT (0.49) ABCB1ABCC1MAPTL3MBTL1MAPK1
SCHEMBL7698568 0.76 ALDH1A1 (0.43) ABCB1ABCC1MAPTL3MBTL1ALDH1A1
SCHEMBL25214665 0.76 ABCC1 (0.55) ABCB1ABCC1MAPTL3MBTL1MAPK1
SCHEMBL1266704 0.76 KCNMA1 (0.62) MAPTL3MBTL1MAPK1TDP1ALDH1A1
SCHEMBL1266702 0.76 KCNMA1 (0.62) MAPTL3MBTL1MAPK1TDP1ALDH1A1
SCHEMBL2369186 0.73 ALDH1A1 (0.53) MAPTL3MBTL1MAPK1TDP1ALDH1A1
SCHEMBL7467332 0.73 ABCB1 (0.55) ABCB1ABCC1MAPTALDH1A1KCNMA1
SCHEMBL7703599 0.71 ABCB1 (0.44) ABCB1ABCC1MAPTL3MBTL1MAPK1
SCHEMBL5869165 0.71 MAPT (0.44) ABCB1ABCC1MAPTL3MBTL1MAPK1

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-1224175-A2 BENZODIAZEPINE DERIVATIVES AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2002-07-24 EP disclosed
WO-2001029012-A2 BENZODIAZEPINE DERIVATIVES AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2001-04-26 WO disclosed