SCHEMBL9503939

SCHEMBL9503939

O=[N+]([O-])c1ccc(Nc2nc(O)cc(O)n2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.59
KMT2A Q03164 7/20 0.59
KCNH3 Q9ULD8 1/20 0.57
RAB9A P51151 1/20 0.55
ABCG2 Q9UNQ0 1/20 0.53
GUCY1B2 O75343 1/20 0.52
GUCY1A2 P33402 1/20 0.52
GUCY1A1 Q02108 1/20 0.52
GUCY1B1 Q02153 1/20 0.52
HPGD P15428 2/20 0.51
ALOX12 P18054 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
ALDH1A1 P00352 2/20 0.50
PLK1 P53350 1/20 0.49
MAPT P10636 4/20 0.48
LMNA P02545 3/20 0.48
TDP1 Q9NUW8 2/20 0.48
THRB P10828 1/20 0.48
GAA P10253 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
SCHEMBL25495162 0.86 MEN1 (0.75) MEN1KMT2AKCNH3RAB9AABCG2
SCHEMBL10429472 0.83 ABL1 (0.57) MEN1KMT2ARAB9AABCG2SMN1; SMN2
SCHEMBL8913032 0.78 ABCG2 (0.70) MEN1KMT2AKCNH3RAB9AABCG2
SCHEMBL10642180 0.78 MEN1 (0.60) MEN1KMT2AKCNH3RAB9AABCG2
SCHEMBL8973131 0.78 ABCG2 (0.74) MEN1KMT2AKCNH3RAB9AABCG2
SCHEMBL18289621 0.75 HPGD (0.83) MEN1KMT2AKCNH3HPGDALOX12
SCHEMBL18289622 0.75 HPGD (0.83) MEN1KMT2AKCNH3HPGDALOX12
SCHEMBL4957626 0.75 HPGD (0.83) MEN1KMT2AKCNH3HPGDALOX12
SCHEMBL395942 0.75 HPGD (0.83) MEN1KMT2AKCNH3HPGDALOX12
SCHEMBL4221657 0.74 HPGD (0.68) MEN1KMT2AGUCY1B2GUCY1A2GUCY1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0297397-B1 PREPARATION OF DIAZO AND AZO COMPOUNDS BAYER AG (DE) 1993-08-04 EP disclosed
US-4942225-A Preparation of diazo and azo compounds using azidoformamidium salts BAYER AKTIENGESELLSCHAFT (DE) 1990-07-17 US disclosed
EP-0297397-A2 Preparation of diazo and azo compounds BAYER AG (DE) 1989-01-04 EP disclosed
EP-0093306-B1 METHODS FOR THE PREPARATION OF AZO COMPOUNDS, AND AZO COMPOUNDS BAYER AG (DE) 1986-09-24 EP disclosed