SCHEMBL7126754

SCHEMBL7126754

Nc1cc2cc([N+](=O)[O-])ccc2oc1=O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.65
CA12 O43570 2/20 0.65
CA9 Q16790 2/20 0.65
CA1 P00915 1/20 0.65
CA2 P00918 1/20 0.65
MAOB P27338 7/20 0.62
MAOA P21397 3/20 0.62
XDH P47989 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.53
F12 P00748 1/20 0.52
RAB9A P51151 2/20 0.51
NPC1 O15118 2/20 0.51
ALDH1A1 P00352 2/20 0.51
TDP1 Q9NUW8 2/20 0.51
KDM4E B2RXH2 1/20 0.51
LMNA P02545 1/20 0.51
MAPT P10636 1/20 0.51
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49

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
SCHEMBL5177829 0.81 CA12 (0.57) POLBCA12CA9CA1CA2
SCHEMBL4385793 0.81 CA12 (0.65) POLBCA12CA9CA1CA2
SCHEMBL31415605 0.81 CA12 (0.65) POLBCA12CA9CA1CA2
SCHEMBL5816621 0.79 MAOB (0.61) POLBCA12CA9CA1CA2
SCHEMBL5190662 0.79 POLB (1.00) POLBCA12CA9CA1CA2
SCHEMBL8810276 0.79 CA12 (1.00) POLBCA12CA9CA1CA2
SCHEMBL1369655 0.78 MAOB (0.81) POLBCA12CA9CA1CA2
SCHEMBL1997538 0.78 MAOB (0.59) POLBCA12CA9CA1CA2
SCHEMBL831487 0.78 CA12 (0.79) POLBCA12CA9CA1CA2
SCHEMBL3281919 0.78 MAOB (0.80) POLBCA12CA9CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2003252869-A METHOD FOR PRODUCING 3-AMINO-6-NITROCOUMARIN SUMITOMO SEIKA CHEM CO LTD 2003-09-10 JP disclosed
EP-0553248-A1 NOVEL 5-IODO-6-AMINO-1,2-BENZOPYRONES AND THEIR ANALOGS USEFUL AS CYTOSTATIC AND ANTIVIRAL AGENTS. UNIV CALIFORNIA (US) 1993-08-04 EP disclosed
EP-0494231-A4 6-AMINO-1,2-BENZOPYRONES USEFUL FOR TREATMENT OF VIRAL DISEASES 1992-09-16 EP disclosed
EP-0494231-A1 6-AMINO-1,2-BENZOPYRONES USEFUL FOR TREATMENT OF VIRAL DISEASES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1992-07-15 EP disclosed
WO-1992006687-A1 NOVEL 5-IODO-6-AMINO-1,2-BENZOPYRONES AND THEIR ANALOGS USEFUL AS CYTOSTATIC AND ANTIVIRAL AGENTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1992-04-30 WO disclosed
WO-1991004663-A1 6-AMINO-1,2-BENZOPYRONES USEFUL FOR TREATMENT OF VIRAL DISEASES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1991-04-18 WO disclosed
US-4287126-A (2-Oxo-2H-1-benzopyran-3-yl)aminooxoacetic acids and their derivatives WARNER-LAMBERT COMPANY (US) 1981-09-01 US disclosed