SCHEMBL7328071

SCHEMBL7328071

CCOC(=O)C(=O)N(Cc1ccccn1)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.45
KDM4E B2RXH2 3/20 0.43
TP53 P04637 1/20 0.42
RAB9A P51151 3/20 0.42
NPC1 O15118 2/20 0.41
MAPK1 P28482 2/20 0.41
MAPT P10636 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
TRPM8 Q7Z2W7 1/20 0.41
CES2 O00748 1/20 0.41
ACHE P22303 1/20 0.41
CES1 P23141 1/20 0.41
ALDH1A1 P00352 3/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PPARG P37231 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.37

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
SCHEMBL7328061 0.86 TP53 (0.43) RXFP1KDM4ETP53NPC1MAPK1
SCHEMBL7319630 0.83 ALDH1A1 (0.47) RXFP1KDM4ETP53RAB9AMAPK1
SCHEMBL7324191 0.79 SMN1; SMN2 (0.43) KDM4ERAB9ANPC1MAPK1MAPT
SCHEMBL7331816 0.78 SNCA (0.52) KDM4ERAB9AMAPTALDH1A1L3MBTL1
SCHEMBL7361629 0.78 ALDH1A1 (0.53) RXFP1RAB9ANPC1MAPK1MAPT
SCHEMBL7328793 0.76 L3MBTL1 (0.47) KDM4ERAB9ANPC1MAPTCES2
SCHEMBL7319642 0.76 SMN1; SMN2 (0.42) KDM4ERAB9AMAPK1MAPTCES2
SCHEMBL25377449 0.76 TRPM8 (0.57) KDM4EMAPTTRPM8ALDH1A1L3MBTL1
SCHEMBL8470246 0.75 CES2 (0.45) KDM4ETP53RAB9AMAPK1MAPT
SCHEMBL4196693 0.75 ALDH1A1 (0.49) KDM4ETP53RAB9ANPC1MAPK1

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
US-5075304-A Nervous system disorders NOVO NORDISK A/S (DK) 1991-12-24 US disclosed
EP-0344943-A1 Imidazoquinoxaline compounds and their preparation and use NOVO NORDISK A/S (DK) 1989-12-06 EP disclosed