SCHEMBL5545629

SCHEMBL5545629

CC(CN)Nc1ccccc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 2/20 0.53
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
L3MBTL1 Q9Y468 4/20 0.47
MAPK1 P28482 4/20 0.47
TDP1 Q9NUW8 3/20 0.47
ALDH1A1 P00352 2/20 0.47
CASP7 P55210 1/20 0.47
MAPT P10636 5/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HCAR3 P49019 1/20 0.46
TP53 P04637 1/20 0.45
IDO1 P14902 1/20 0.43
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
GAA P10253 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
PKM P14618 1/20 0.43

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
SCHEMBL13598830 0.85 HCAR3 (0.61) KAT2BKMT2AMEN1SMN1; SMN2L3MBTL1
SCHEMBL9395746 0.84 KMT2A (0.53) KAT2BKMT2AMEN1SMN1; SMN2L3MBTL1
SCHEMBL16722175 0.84 KMT2A (0.53) KAT2BKMT2AMEN1SMN1; SMN2L3MBTL1
SCHEMBL30274042 0.81 HCAR3 (0.55) KAT2BKMT2AMEN1SMN1; SMN2L3MBTL1
SCHEMBL103504 0.81 HCAR3 (0.55) KAT2BKMT2AMEN1SMN1; SMN2L3MBTL1
Ammonia Solution, Strong SCHEMBL28179606 0.80 HCAR3 (0.54) KAT2BKMT2AMEN1SMN1; SMN2L3MBTL1
SCHEMBL14407545 0.79 ALDH1A1 (0.56) KMT2AMEN1SMN1; SMN2L3MBTL1MAPK1
SCHEMBL29744939 0.79 HCAR3 (0.45) KAT2BKMT2AMEN1SMN1; SMN2L3MBTL1
SCHEMBL30128459 0.78 KMT2A (0.53) KMT2AMEN1SMN1; SMN2L3MBTL1MAPK1
SCHEMBL128849 0.78 KMT2A (0.53) KMT2AMEN1SMN1; SMN2L3MBTL1MAPK1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1711184-B1 (3-OXO-3,4-DIHYDRO-QUINOXALIN-2-YL-AMINO)-BENZAMIDE DERIVATIVES AND RELATED COMPOUNDS AS GLYCOGEN PHOSPHORYLASE INHIBITORS FOR THE TREATMENT OF DIABETES AND OBESITY JANSSEN PHARMACEUTICA NV (BE) 2007-07-18 EP disclosed