SCHEMBL7578041

SCHEMBL7578041

O=C(O)C(Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.60
MEN1 O00255 7/20 0.60
KMT2A Q03164 7/20 0.60
LMNA P02545 5/20 0.60
MAPT P10636 4/20 0.60
HTT P42858 3/20 0.60
GAA P10253 1/20 0.60
CYP1A2 P05177 1/20 0.59
CYP3A4 P08684 1/20 0.59
CYP2D6 P10635 1/20 0.59
CYP2C9 P11712 1/20 0.59
CYP2C19 P33261 1/20 0.59
RECQL P46063 1/20 0.59
SMN1; SMN2 Q16637 2/20 0.58
NPSR1 Q6W5P4 2/20 0.58
KDM4E B2RXH2 2/20 0.56
VCAM1 P19320 2/20 0.50
NPC1 O15118 1/20 0.47
ITGA4 P13612 1/20 0.47
PKM P14618 1/20 0.47

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
SCHEMBL7576014 0.84 SMN1; SMN2 (0.60) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL7584783 0.84 LMNA (0.60) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL7584703 0.83 NPC1 (0.53) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL7574997 0.77 CA2 (0.44) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL7574185 0.77 HPGD (0.57) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL11201726 0.77 MAPT (0.56) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL11201722 0.77 MAPT (0.56) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL9650509 0.77 MEN1 (0.68) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL7582132 0.77 ALDH1A1 (0.57) ALDH1A1MEN1KMT2AMAPTHTT
SCHEMBL7584383 0.76 ALOX5 (0.50) ALDH1A1MEN1KMT2AMAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1242069-A2 ALBUMIN-BINDING COMPOUNDS THAT PREVENT NONENZYMATIC GLYCATION AND THAT MAY BE USED FOR TREATMENT OF GLYCATION-RELATED PATHOLOGIES EXOCELL, INC. (US) 2002-09-25 EP disclosed
WO-2001003684-A2 ALBUMIN-BINDING COMPOUNDS THAT PREVENT NONENZYMATIC GLYCATION AND THAT MAY BE USED FOR TREATMENT OF GLYCATION-RELATED PATHOLOGIES EXOCELL, INC. (US) 2001-01-18 WO disclosed