SCHEMBL7719031

SCHEMBL7719031

CC(OC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
MEN1 O00255 8/20 0.47
KMT2A Q03164 8/20 0.47
NPC1 O15118 6/20 0.47
RAB9A P51151 5/20 0.47
MITF O75030 1/20 0.47
POLB P06746 1/20 0.47
MAPT P10636 6/20 0.46
HTT P42858 3/20 0.46
LMNA P02545 4/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
HPGD P15428 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
KDM4E B2RXH2 1/20 0.45
TP53 P04637 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
MAPK1 P28482 2/20 0.44
GAA P10253 1/20 0.44
MYOC Q99972 1/20 0.44

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
SCHEMBL7718000 0.91 ALDH1A1 (0.52) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL542086 0.80 ALDH1A1 (0.55) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL9994168 0.80 MAPT (0.60) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL28879715 0.79 HTR2A (0.47) ALDH1A1KMT2AMAPTSMN1; SMN2KDM4E
SCHEMBL18684993 0.78 ALDH1A1 (0.52) ALDH1A1MEN1KMT2APOLBLMNA
SCHEMBL542087 0.78 ALDH1A1 (0.49) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL27889264 0.77 ALDH1A1 (0.56) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL5583400 0.77 ALDH1A1 (0.56) ALDH1A1NPC1RAB9APOLBMAPT
SCHEMBL8654472 0.76 ALDH1A1 (0.50) ALDH1A1MEN1KMT2APOLBMAPT
SCHEMBL4361293 0.76 ALDH1A1 (0.55) ALDH1A1NPC1RAB9AMAPTHTT

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