SCHEMBL7718007

SCHEMBL7718007

O=C(CCCC(=O)Oc1ccc([N+](=O)[O-])c(CO)c1)Oc1ccc([N+](=O)[O-])c(CO)c1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BCL9 O00512 1/20 0.44
CTNNB1 P35222 1/20 0.44
EGFR P00533 5/20 0.44
ERBB2 P04626 5/20 0.44
ALDH1A1 P00352 3/20 0.41
TDP1 Q9NUW8 1/20 0.41
KMT2A Q03164 3/20 0.39
MAOB P27338 1/20 0.36
MAPT P10636 4/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
NPC1 O15118 3/20 0.36
LMNA P02545 2/20 0.36
RAB9A P51151 2/20 0.36
HTT P42858 1/20 0.36
HSD17B10 Q99714 1/20 0.36
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
TLR9 Q9NR96 1/20 0.35

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
SCHEMBL11341366 0.84 NPC1 (0.47) ALDH1A1KMT2AMAOBMAPTSMN1; SMN2
SCHEMBL27603383 0.80 BCL9 (0.62) BCL9CTNNB1EGFRERBB2ALDH1A1
SCHEMBL6565688 0.79 HTR2A (0.44) ALDH1A1KMT2AMAOBMAPTSMN1; SMN2
SCHEMBL7717015 0.79 MAPT (0.51) ALDH1A1KMT2AMAPTSMN1; SMN2NPC1
SCHEMBL1589463 0.79 MAPT (0.50) ALDH1A1TDP1KMT2AMAOBMAPT
SCHEMBL15455588 0.78 MAOB (0.38) ALDH1A1KMT2AMAOBMAPTSMN1; SMN2
SCHEMBL1289600 0.77 ALDH1A1 (0.49) ALDH1A1KMT2AMAPTSMN1; SMN2NPC1
SCHEMBL5147330 0.77 ALDH1A1 (0.40) ALDH1A1MAOBMAPTSMN1; SMN2NPC1
SCHEMBL21642649 0.76 MAPT (0.46) ALDH1A1TDP1KMT2AMAOBMAPT
SCHEMBL8631234 0.75 MAPT (0.57) ALDH1A1TDP1KMT2AMAPTSMN1; SMN2

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