SCHEMBL7717015

SCHEMBL7717015

O=[N+]([O-])c1ccc(OCCCCOc2ccc([N+](=O)[O-])c(CO)c2)cc1CO

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.51
ALDH1A1 P00352 2/20 0.45
LMNA P02545 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.43
KDM4E B2RXH2 3/20 0.42
MEN1 O00255 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
PRSS1 P07477 3/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
BCHE P06276 1/20 0.41
PLA2G4B P0C869 1/20 0.40

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
SCHEMBL1589463 0.97 MAPT (0.50) MAPTALDH1A1LMNASMN1; SMN2KDM4E
SCHEMBL21642649 0.93 MAPT (0.46) MAPTALDH1A1LMNASMN1; SMN2KDM4E
SCHEMBL8631234 0.92 MAPT (0.57) MAPTALDH1A1LMNASMN1; SMN2KDM4E
SCHEMBL16162779 0.92 MAPT (0.47) MAPTALDH1A1LMNASMN1; SMN2KDM4E
SCHEMBL23801874 0.92 MAPT (0.53) MAPTALDH1A1LMNASMN1; SMN2KMT2A
SCHEMBL6567529 0.92 MAPT (0.53) MAPTALDH1A1LMNASMN1; SMN2KMT2A
SCHEMBL67179 0.91 MAPT (0.46) MAPTALDH1A1LMNASMN1; SMN2KDM4E
SCHEMBL13284234 0.91 MAPT (0.49) MAPTALDH1A1LMNASMN1; SMN2KDM4E
SCHEMBL6565692 0.89 MAPT (0.65) MAPTALDH1A1LMNASMN1; SMN2KDM4E
SCHEMBL21642651 0.87 MAPT (0.42) MAPTALDH1A1LMNASMN1; SMN2KDM4E

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