SCHEMBL11068063

SCHEMBL11068063

O=C(NC(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1

nearest known ligand 0.74

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.74
MEN1 O00255 6/20 0.74
ALDH1A1 P00352 5/20 0.67
MAPT P10636 3/20 0.67
TP53 P04637 1/20 0.67
POLB P06746 2/20 0.66
NPC1 O15118 1/20 0.66
RAB9A P51151 1/20 0.66
CES2 O00748 1/20 0.64
CES1 P23141 1/20 0.64
HPGD P15428 2/20 0.63
SMN1; SMN2 Q16637 2/20 0.63
GAA P10253 2/20 0.63
BLM P54132 1/20 0.60

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
SCHEMBL11060904 0.95 KMT2A (0.73) KMT2AMEN1ALDH1A1MAPTTP53
SCHEMBL6995692 0.90 KMT2A (0.67) KMT2AMEN1ALDH1A1MAPTTP53
SCHEMBL8544673 0.85 ALDH1A1 (0.72) KMT2AMEN1ALDH1A1MAPTTP53
SCHEMBL10355 0.85 KMT2A (0.69) KMT2AMEN1ALDH1A1MAPTTP53
SCHEMBL11059936 0.84 GAA (0.72) KMT2AMEN1ALDH1A1MAPTTP53
SCHEMBL30868371 0.84 KMT2A (0.88) KMT2AMEN1ALDH1A1MAPTPOLB
SCHEMBL299879 0.84 KMT2A (0.88) KMT2AMEN1ALDH1A1MAPTPOLB
SCHEMBL297043 0.83 KMT2A (0.71) KMT2AMEN1ALDH1A1MAPTTP53
SCHEMBL29508878 0.83 KMT2A (0.71) KMT2AMEN1ALDH1A1MAPTTP53
Ammonia Solution, Strong SCHEMBL27493385 0.83 TP53 (0.71) KMT2AMEN1ALDH1A1MAPTTP53

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
US-4447515-A DIACYLAMINE COMPOUND ADDED FUJI PHOTO FILM CO., LTD. (JP) 1984-05-08 US disclosed