SCHEMBL5486512

SCHEMBL5486512

O=Cc1ccccc1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 6/20 0.64
MEN1 O00255 5/20 0.63
KMT2A Q03164 5/20 0.63
SNCA P37840 3/20 0.56
NPC1 O15118 2/20 0.51
ALDH1A1 P00352 2/20 0.51
MAPT P10636 2/20 0.48
RAB9A P51151 1/20 0.48

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
SCHEMBL29951161 0.89 SNCA (0.67) MEN1KMT2ASNCANPC1ALDH1A1
SCHEMBL8334964 0.82 ALOX5 (0.70) ALOX5MEN1KMT2ANPC1ALDH1A1
SCHEMBL7875424 0.81 ALOX5 (0.68) ALOX5MEN1KMT2ANPC1ALDH1A1
SCHEMBL6864203 0.80 ALOX5 (0.67) ALOX5MEN1KMT2ANPC1ALDH1A1
SCHEMBL28328243 0.80 MEN1 (0.70) ALOX5MEN1KMT2ANPC1ALDH1A1
SCHEMBL29594517 0.77 MEN1 (0.73) ALOX5MEN1KMT2AMAPT
SCHEMBL30758797 0.77 SNCA (0.59) MEN1KMT2ASNCANPC1MAPT
SCHEMBL4081845 0.77 SNCA (0.59) MEN1KMT2ASNCANPC1MAPT
SCHEMBL14290087 0.77 TOP1 (0.73) MEN1KMT2ASNCANPC1ALDH1A1
SCHEMBL10904297 0.76 ALOX5 (1.00) ALOX5MEN1KMT2ANPC1MAPT

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-1845083-A2 New arylsulfonohydrazide inhibitors of enzymes MurC and MurD UNIVERZA V LJUBLJANI, FAKULTETA ZA FARMACIJO (SI) 2007-10-17 EP disclosed
EP-0948483-B1 FARNESYL TRANSFERASE INHIBITORS AVENTIS PHARMA SA (FR) 2002-03-13 EP disclosed