SCHEMBL28755010

SCHEMBL28755010

CCCOC(N)=O.Cc1cc([N+](=O)[O-])ccc1C(=O)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.47
POLB P06746 4/20 0.47
MAPK1 P28482 3/20 0.47
TDP1 Q9NUW8 2/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
ALOX5 P09917 1/20 0.45
LMNA P02545 5/20 0.44
ALDH1A1 P00352 5/20 0.44
NPSR1 Q6W5P4 2/20 0.44
KDM4E B2RXH2 1/20 0.44
GAA P10253 2/20 0.44
HTT P42858 2/20 0.44
ELANE P08246 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
HPGD P15428 1/20 0.43
CES2 O00748 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
Urethane SCHEMBL27620983 0.92 MAPT (0.52) MAPTPOLBMAPK1TDP1MEN1
SCHEMBL27621055 0.88 MAPT (0.45) MAPTPOLBMAPK1TDP1MEN1
SCHEMBL27639789 0.88 MAPT (0.45) MAPTPOLBMAPK1TDP1MEN1
SCHEMBL27639797 0.88 MAPT (0.59) MAPTPOLBMAPK1TDP1MEN1
SCHEMBL27639776 0.87 ALOX5 (0.57) MAPTPOLBMAPK1TDP1ALOX5
SCHEMBL27639794 0.87 PTGDR2 (0.46) MAPTPOLBMAPK1TDP1MEN1
SCHEMBL27639760 0.85 MAPT (0.45) MAPTPOLBMAPK1TDP1MEN1
Acetamide SCHEMBL27567357 0.84 ALDH1A1 (0.51) MAPTPOLBMAPK1TDP1KMT2A
SCHEMBL27405553 0.84 ALDH1A1 (0.56) MAPTPOLBMAPK1TDP1KMT2A
Methyl Alcohol SCHEMBL28251314 0.83 ALDH1A1 (0.55) MAPTPOLBMAPK1TDP1KMT2A

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
CN-1761464-A Substituted p-diaminobenzene derivatives LUNDBECK & CO AS H (DK) 2006-04-19 CN disclosed