SCHEMBL7319630

SCHEMBL7319630

CCOC(=O)C(=O)N(Cc1ccccc1)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.47
LMNA P02545 3/20 0.47
KDM4E B2RXH2 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.44
CES2 O00748 1/20 0.44
ACHE P22303 1/20 0.44
CES1 P23141 1/20 0.44
TRPM8 Q7Z2W7 1/20 0.44
RXFP1 Q9HBX9 1/20 0.43
KMT2A Q03164 3/20 0.43
RAB9A P51151 1/20 0.43
MEN1 O00255 1/20 0.41
TP53 P04637 1/20 0.41
AR P10275 2/20 0.41
MAPK1 P28482 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
POLB P06746 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL7361629 0.90 ALDH1A1 (0.53) ALDH1A1LMNARXFP1KMT2ARAB9A
SCHEMBL7328793 0.88 L3MBTL1 (0.47) ALDH1A1LMNAKDM4EL3MBTL1CES2
SCHEMBL7319626 0.85 ALDH1A1 (0.48) ALDH1A1LMNAKDM4ETRPM8KMT2A
SCHEMBL7324191 0.84 SMN1; SMN2 (0.43) ALDH1A1LMNAKDM4EL3MBTL1CES2
SCHEMBL7328071 0.83 RXFP1 (0.45) ALDH1A1KDM4EL3MBTL1CES2ACHE
SCHEMBL7331816 0.83 SNCA (0.52) ALDH1A1LMNAKDM4EL3MBTL1KMT2A
SCHEMBL7319642 0.81 SMN1; SMN2 (0.42) ALDH1A1LMNAKDM4EL3MBTL1CES2
SCHEMBL8470246 0.80 CES2 (0.45) ALDH1A1LMNAKDM4EL3MBTL1CES2
SCHEMBL13729331 0.79 ALDH1A1 (0.51) ALDH1A1LMNAKDM4EL3MBTL1TRPM8
SCHEMBL15695027 0.79 ALDH1A1 (0.47) ALDH1A1LMNAKDM4EL3MBTL1TRPM8

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