SCHEMBL6665583

SCHEMBL6665583

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

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.55
CTSV O60911 4/20 0.54
CTSL P07711 4/20 0.54
BACE1 P56817 1/20 0.53
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
NR4A2 P43354 2/20 0.51
NR4A1 P22736 1/20 0.51
NR4A3 Q92570 1/20 0.51
MCL1 Q07820 1/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
ATM Q13315 1/20 0.51
MAPT P10636 2/20 0.51
SLC16A3 O15427 1/20 0.50

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
SCHEMBL5065193 0.89 PARP10 (0.54) MAOBCTSVCTSLBACE1MEN1
SCHEMBL4936955 0.89 CTSV (0.57) MAOBCTSVCTSLBACE1MEN1
SCHEMBL28299950 0.88 SRD5A2 (0.52) MAOBBACE1MEN1KMT2ANR4A2
SCHEMBL5875339 0.87 NR4A2 (0.60) MAOBBACE1NR4A2
SCHEMBL6361504 0.87 MEN1 (0.56) MAOBCTSVCTSLBACE1MEN1
SCHEMBL4604134 0.87 MEN1 (0.51) MAOBCTSVCTSLBACE1MEN1
SCHEMBL14392458 0.86 PTGES (0.52) MAOBCTSVCTSLMEN1KMT2A
SCHEMBL10737968 0.85 MEN1 (0.57) MAOBMEN1KMT2AMAPT
SCHEMBL30832846 0.84 MEN1 (0.57) MAOBCTSVCTSLBACE1MEN1
SCHEMBL1663438 0.84 MEN1 (0.57) MAOBCTSVCTSLBACE1MEN1

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-1442020-A1 HETEROCYCLIC DERIVATIVES OF GLYCINAMIDE AND THEIR MEDICAL USE SmithKline Beecham plc (GB) 2004-08-04 EP disclosed
WO-2003042179-A1 HETEROCYCLIC DERIVATIVES OF GLYCINAMIDE AND THEIR MEDICAL USE SMITHKLINE BEECHAM P.L.C. (GB) 2003-05-22 WO disclosed