SCHEMBL9747334

SCHEMBL9747334

COc1ccc2c(C(C)=O)cccc2c1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.48
GAA P10253 1/20 0.48
KDM4E B2RXH2 1/20 0.48
POLB P06746 1/20 0.48
CTDSP1 Q9GZU7 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
ALDH1A1 P00352 2/20 0.44
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.43
NCEH1 Q6PIU2 1/20 0.43
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
HPGD P15428 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
CDK2 P24941 1/20 0.42
SMN1; SMN2 Q16637 4/20 0.41
RAB9A P51151 2/20 0.41
CDC25B P30305 1/20 0.41

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
SCHEMBL4869351 0.83 TDP1 (0.50) MAPTGAAKDM4EPOLBCTDSP1
SCHEMBL9747124 0.81 ALDH1A1 (0.41) MAPTGAAKDM4ETDP1ALDH1A1
SCHEMBL28215127 0.80 TDP1 (0.56) MAPTKDM4EPOLBCTDSP1TDP1
SCHEMBL28428409 0.78 TDP1 (0.60) GAAKDM4EPOLBCTDSP1TDP1
SCHEMBL835587 0.77 MAPT (0.58) MAPTGAAKDM4EALDH1A1LMNA
SCHEMBL13835525 0.75 TDP1 (0.53) MAPTGAAKDM4EPOLBCTDSP1
SCHEMBL8108179 0.74 TDP1 (0.64) GAAPOLBCTDSP1TDP1L3MBTL1
SCHEMBL104452 0.74 PKM (0.59) KDM4EPOLBCTDSP1TDP1L3MBTL1
SCHEMBL16955551 0.74 TDP1 (0.50) MAPTGAAKDM4EPOLBCTDSP1
SCHEMBL29740471 0.74 PKM (0.59) KDM4EPOLBCTDSP1TDP1L3MBTL1

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