SCHEMBL11060904

SCHEMBL11060904

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

nearest known ligand 0.73

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.73
MEN1 O00255 6/20 0.73
CES2 O00748 1/20 0.70
CES1 P23141 1/20 0.70
TP53 P04637 1/20 0.68
ALDH1A1 P00352 5/20 0.67
HPGD P15428 1/20 0.67
MAPT P10636 3/20 0.66
POLB P06746 1/20 0.66
BLM P54132 1/20 0.66
TSHR P16473 2/20 0.66
GAA P10253 1/20 0.63
NPC1 O15118 2/20 0.63
RAB9A P51151 1/20 0.63
THRA P10827 1/20 0.61

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
SCHEMBL11068063 0.95 KMT2A (0.74) KMT2AMEN1CES2CES1TP53
SCHEMBL6995692 0.91 KMT2A (0.67) KMT2AMEN1CES2CES1TP53
SCHEMBL8544673 0.90 ALDH1A1 (0.72) KMT2AMEN1CES2CES1TP53
SCHEMBL10355 0.89 KMT2A (0.69) KMT2AMEN1CES2CES1TP53
SCHEMBL29508878 0.87 KMT2A (0.71) KMT2AMEN1CES2CES1TP53
SCHEMBL297043 0.87 KMT2A (0.71) KMT2AMEN1CES2CES1TP53
SCHEMBL11064012 0.86 CYP1A2 (0.70) KMT2AMEN1CES2CES1ALDH1A1
SCHEMBL4494074 0.86 KMT2A (0.69) KMT2AMEN1CES2CES1TP53
SCHEMBL432613 0.86 KMT2A (0.69) KMT2AMEN1CES2CES1TP53
Hydrochloric Acid SCHEMBL2045145 0.86 KMT2A (0.69) KMT2AMEN1CES2CES1TP53

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