SCHEMBL7350879

SCHEMBL7350879

O=C(O)CC(=O)Oc1ccc(OCc2ccccc2)cc1[N+](=O)[O-]

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
MAPT P10636 3/20 0.54
CTSV O60911 5/20 0.51
CTSL P07711 5/20 0.51
BACE1 P56817 1/20 0.50
PKM P14618 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
POLB P06746 1/20 0.47
LMNA P02545 1/20 0.46
AR P10275 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
ATM Q13315 1/20 0.46

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
SCHEMBL7350886 1.00 MEN1 (0.54) MEN1KMT2AMAPTCTSVCTSL
SCHEMBL7350875 0.95 MEN1 (0.56) MEN1KMT2AMAPTCTSVCTSL
SCHEMBL27551196 0.83 MEN1 (0.55) MEN1KMT2AMAPTCTSVCTSL
SCHEMBL5421861 0.83 POLB (0.58) MEN1KMT2AMAPTCTSVCTSL
SCHEMBL29502844 0.83 POLB (0.58) MEN1KMT2AMAPTCTSVCTSL
SCHEMBL5501006 0.82 MEN1 (0.59) MEN1KMT2AMAPTCTSVCTSL
SCHEMBL7682013 0.81 MAPT (0.52) MEN1KMT2AMAPTPOLBNPC1
SCHEMBL7682016 0.81 MAPT (0.52) MEN1KMT2AMAPTPOLBNPC1
SCHEMBL8875982 0.81 RAB9A (0.55) MEN1KMT2AMAPTCTSVCTSL
SCHEMBL3997761 0.80 MEN1 (0.67) MEN1KMT2AMAPTCTSVCTSL

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-1027332-A1 NOVEL LACTAM METALLOPROTEASE INHIBITORS Du Pont Pharmaceuticals Company (US) 2000-08-16 EP disclosed
WO-1999018074-A1 NOVEL LACTAM METALLOPROTEASE INHIBITORS Britol-Myers Squibb Pharma Company (US) 1999-04-15 WO disclosed