SCHEMBL3454524

SCHEMBL3454524

CCCC[N+]([O-])=Cc1cc[n+]([O-])cc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.39
MAPT P10636 2/20 0.39
KMT2A Q03164 2/20 0.39
GAA P10253 1/20 0.39
CASP1 P29466 1/20 0.39
BRCA1 P38398 1/20 0.39
CASP7 P55210 1/20 0.39
HBB P68871 1/20 0.39
KDM4A O75164 2/20 0.33
KDM2A Q9Y2K7 2/20 0.33
ALDH1A1 P00352 1/20 0.32
APAF1 O14727 1/20 0.31
HSP90AA1 P07900 1/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.31
BLM P54132 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL6566211 0.89 MEN1 (0.41) MEN1MAPTKMT2AGAACASP1
SCHEMBL264463 0.80 G6PD (0.38) MAPTKMT2AGAAALDH1A1
SCHEMBL39273 0.80 G6PD (0.38) MAPTKMT2AGAAALDH1A1
SCHEMBL10696828 0.75 FBP1 (0.44) ALDH1A1
SCHEMBL13479005 0.69 ALOX5 (0.36) MAPTKMT2AALDH1A1SMN1; SMN2
SCHEMBL9065978 0.69 AKR1C3 (0.47) MEN1MAPTKMT2AALDH1A1
SCHEMBL14575304 0.68 NR5A1 (0.50) MAPTGAA
SCHEMBL14575303 0.68 NR5A1 (0.50) MAPTGAA
SCHEMBL828962 0.67 GAA (0.39) MEN1MAPTKMT2AGAACASP1
SCHEMBL14575603 0.66 G6PD (0.41) MAPTKMT2AGAAALDH1A1

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
WO-2010066820-A1 NEGATIVE WORKING LITHOGRAPHIC PRINTING PLATE PRECURSORS COMPRISING A REACTIVE BINDER CONTAINING ALIPHATIC BI- OR POLYCYCLIC MOIETIES EASTMAN KODAK COMPANY (US) 2010-06-17 WO disclosed