SCHEMBL4604134

SCHEMBL4604134

O=C(CCl)c1ccc(OCc2ccccc2)cc1[N+](=O)[O-]

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.51
KMT2A Q03164 5/20 0.51
RAB9A P51151 4/20 0.51
NPC1 O15118 3/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
MAOB P27338 1/20 0.50
BACE1 P56817 1/20 0.49
MAPT P10636 4/20 0.47
ATM Q13315 1/20 0.47
ALDH1A1 P00352 1/20 0.46
PKM P14618 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CTSV O60911 2/20 0.45
CTSL P07711 2/20 0.45
LMNA P02545 1/20 0.45
AR P10275 1/20 0.45

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
SCHEMBL6665583 0.87 MAOB (0.55) MEN1KMT2ARAB9ANPC1MAOB
SCHEMBL5065193 0.85 PARP10 (0.54) MEN1KMT2ARAB9ANPC1MAOB
SCHEMBL28299950 0.84 SRD5A2 (0.52) MEN1KMT2ARAB9ANPC1MAOB
SCHEMBL6361504 0.82 MEN1 (0.56) MEN1KMT2ARAB9ANPC1MAOB
SCHEMBL10737968 0.81 MEN1 (0.57) MEN1KMT2AMAOBMAPTPKM
SCHEMBL1663438 0.80 MEN1 (0.57) MEN1KMT2ARAB9ANPC1MAOB
SCHEMBL30832846 0.80 MEN1 (0.57) MEN1KMT2ARAB9ANPC1MAOB
SCHEMBL4936955 0.79 CTSV (0.57) MEN1KMT2ARAB9ANPC1MAOB
SCHEMBL29463873 0.79 MEN1 (0.53) MEN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL1734030 0.79 BACE1 (0.55) MEN1KMT2ARAB9ANPC1SMN1; SMN2

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-1948625-A1 PROCESS FOR THE PREPARATION OF BETAMIMETIC BENZOXAZINONE DERIVATIVES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-07-30 EP disclosed
WO-2007054484-A1 PROCESS FOR THE PREPARATION OF BETAMIMETIC BENZOXAZINONE DERIVATIVES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-05-18 WO disclosed