SCHEMBL14423554

SCHEMBL14423554

CCOC(=O)[C@H](C)n1cccc([N+](=O)[O-])c1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.44
ALDH1A1 P00352 7/20 0.42
MAPT P10636 4/20 0.42
MAPK1 P28482 2/20 0.42
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
GAA P10253 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ELANE P08246 1/20 0.42
SLC5A1 P13866 1/20 0.41
SLC5A2 P31639 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
KDM4E B2RXH2 1/20 0.40
KMT2A Q03164 1/20 0.39

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
SCHEMBL6028721 0.86 L3MBTL1 (0.43) L3MBTL1ALDH1A1MAPTMAPK1RAB9A
SCHEMBL8309798 0.84 L3MBTL1 (0.44) L3MBTL1ALDH1A1MAPTMAPK1RAB9A
SCHEMBL14423542 0.83 ELANE (0.41) L3MBTL1ALDH1A1MAPTMAPK1RAB9A
SCHEMBL14423555 0.78 CYP1A2 (0.44) L3MBTL1ALDH1A1MAPTMAPK1RAB9A
SCHEMBL7432714 0.78 CYP1A2 (0.44) L3MBTL1ALDH1A1MAPTMAPK1RAB9A
SCHEMBL15803985 0.77 GAA (0.45) L3MBTL1ALDH1A1MAPTGAASMN1; SMN2
SCHEMBL15799353 0.76 GAA (0.42) L3MBTL1ALDH1A1MAPTGAASMN1; SMN2
SCHEMBL7699724 0.76 ELANE (0.41) L3MBTL1ALDH1A1MAPTGAASMN1; SMN2
SCHEMBL9899997 0.75 CYP1A2 (0.42) L3MBTL1ALDH1A1MAPTMAPK1RAB9A
SCHEMBL7284088 0.75 RAD52 (0.50) L3MBTL1ALDH1A1MAPTRAB9ASMN1; 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
US-7262211-B2 Aromatic heterocyclic non-covalent inhibitors of urokinase and blood vessel formation DENDREON CORPORATION (US) 2007-08-28 US disclosed
US-7262211-B2 Aromatic heterocyclic non-covalent inhibitors of urokinase and blood vessel formation DENDREON CORPORATION (US) 2007-08-28 US disclosed