SCHEMBL9747321

SCHEMBL9747321

COc1ccc2cc(C(C)=O)ccc2c1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.49
MAPT P10636 3/20 0.49
HPGD P15428 1/20 0.49
LMNA P02545 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.47
POLB P06746 2/20 0.47
KDM4E B2RXH2 1/20 0.47
CTDSP1 Q9GZU7 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
GAA P10253 1/20 0.46
NCEH1 Q6PIU2 1/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
RECQL P46063 1/20 0.45
MAPK1 P28482 1/20 0.42
AKR1C3 P42330 1/20 0.42
AKR1C2 P52895 1/20 0.42
ALOX5 P09917 1/20 0.41
CYP2A6 P11509 1/20 0.41
PKM P14618 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
SCHEMBL4946327 0.87 LCK (0.54) ALDH1A1MAPTHPGDL3MBTL1POLB
SCHEMBL9748700 0.81 MAPT (0.50) ALDH1A1MAPTHPGDLMNAL3MBTL1
SCHEMBL28755555 0.80 ALDH1A1 (0.56) ALDH1A1MAPTHPGDLMNAPOLB
SCHEMBL31364601 0.79 ALDH1A1 (0.54) ALDH1A1MAPTHPGDLMNAL3MBTL1
SCHEMBL28215734 0.79 HNF4A (0.56) ALDH1A1MAPTLMNAL3MBTL1POLB
SCHEMBL6120739 0.78 POLB (0.49) ALDH1A1MAPTLMNAL3MBTL1POLB
SCHEMBL7736295 0.78 NCEH1 (0.53) ALDH1A1MAPTHPGDLMNAL3MBTL1
SCHEMBL11809956 0.78 ALDH1A1 (0.53) ALDH1A1MAPTHPGDLMNAL3MBTL1
SCHEMBL11078616 0.78 ALDH1A1 (0.53) ALDH1A1MAPTHPGDLMNAL3MBTL1
SCHEMBL30825381 0.77 ALDH1A1 (0.62) ALDH1A1MAPTLMNAL3MBTL1POLB

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-0511152-A2 Quinoxaline compounds, their preparation and use NOVO NORDISK A/S (DK) 1992-10-28 EP disclosed