SCHEMBL7719022

SCHEMBL7719022

CCCCNC(=O)OC(C)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.54
MGLL Q99685 2/20 0.49
ALDH1A1 P00352 2/20 0.48
HPGD P15428 2/20 0.43
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
HSP90AA1 P07900 1/20 0.43
ATM Q13315 1/20 0.43
PTGS2 P35354 1/20 0.42
GAA P10253 1/20 0.42
POLB P06746 1/20 0.42
CYP2C19 P33261 1/20 0.42
CASR P41180 1/20 0.42
CTSL P07711 1/20 0.41
CYP1A2 P05177 1/20 0.41
TSHR P16473 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
SCHEMBL9056702 0.95 MGLL (0.51) KMT2AMGLLALDH1A1HPGDMEN1
SCHEMBL3619558 0.95 MGLL (0.51) KMT2AMGLLALDH1A1HPGDMEN1
SCHEMBL23307970 0.88 KMT2A (0.47) KMT2AMGLLALDH1A1HPGDMEN1
SCHEMBL18684993 0.87 ALDH1A1 (0.52) KMT2AALDH1A1MEN1LMNATP53
SCHEMBL8654472 0.82 ALDH1A1 (0.50) KMT2AALDH1A1HPGDMEN1GAA
SCHEMBL19426454 0.82 MGLL (0.45) KMT2AMGLLALDH1A1LMNAPTGS2
SCHEMBL542087 0.81 ALDH1A1 (0.49) KMT2AALDH1A1HPGDMEN1GAA
SCHEMBL8082873 0.81 GAA (0.51) KMT2AALDH1A1HPGDMEN1LMNA
SCHEMBL13172128 0.81 ALDH1A1 (0.40) KMT2AMGLLALDH1A1HPGDMEN1
SCHEMBL7719024 0.80 CYP3A4 (0.48) KMT2AMGLLALDH1A1MEN1LMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6384264-B1 NITRATION OF AN AROMATIC ALDEHYDE/KETONE TO AN O-NITRO DERIVATIVE AND REDUCING IT TO AN ALCOHOL, REACTING THE ALCOHOL WITH A MONO/DIISOCYANATES TO PROVIDE A 2-NITROBENZYL URETHANE CAPABLE OF GENERATING FREE AMINES UPON IRRADIATION AGFA-GEVAERT (BE) 2002-05-07 US disclosed
US-6171756-B1 SOLVENT SOLUBLE ORGANIC PHOTOPRECURSORS OF AMINES FOR USE IN PHOTOSENSITIVE IMAGING SYSTEMS, SAID PHOTOPRECURSORS GENERATING FREE AMINES ON EXPOSURE TO LONG WAVELENGTH UV OR VISIBLE RADIATION, COMPRISING PHOTOLABILE 2-NITROBENZYL GROUPS AFGA-GEVAERT, N.V. (BE) 2001-01-09 US disclosed
EP-0926555-A1 Photoactive materials applicable to imaging systems. AGFA-GEVAERT N.V. (BE) 1999-06-30 EP disclosed