SCHEMBL7698583

SCHEMBL7698583

N#CCOc1cc(NC(=O)O)c([N+](=O)[O-])cc1C#Cc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.43
LMNA P02545 2/20 0.40
HTT P42858 1/20 0.40
MAPT P10636 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
POLB P06746 1/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 2/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
MEN1 O00255 1/20 0.38
F2 P00734 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.36
PKM P14618 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL7143195 0.88 FFAR1 (0.39) FFAR1LMNAHTTMAPTSMN1; SMN2
SCHEMBL7707062 0.83 L3MBTL1 (0.38) LMNAMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL7704027 0.83 FFAR1 (0.49) FFAR1LMNAHTTMAPTSMN1; SMN2
SCHEMBL6610351 0.78 MAPT (0.42) FFAR1LMNAHTTMAPTSMN1; SMN2
SCHEMBL15459105 0.75 FFAR1 (0.52) FFAR1MAPTSMN1; SMN2NPC1KMT2A
SCHEMBL7698560 0.75 DHODH (0.38) LMNAMAPTMAPK1KMT2AMEN1
SCHEMBL7146760 0.75 ALDH1A1 (0.39) LMNAHTTMAPTSMN1; SMN2NPC1
SCHEMBL7704399 0.75 FFAR1 (0.40) FFAR1LMNARAB9AKMT2APTGDR2
SCHEMBL7138020 0.74 ALDH1A1 (0.39) HTTMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL7143531 0.74 ALDH1A1 (0.41) LMNAHTTMAPTNPC1RAB9A

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