SCHEMBL1723239

SCHEMBL1723239

CC(=O)On1c(C)c2c(=O)n(-c3cc(Cl)ccc3Cl)[nH]c2c(C)c1=O

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NOX4 Q9NPH5 11/20 0.38
NOTUM Q6P988 1/20 0.36
HTT P42858 1/20 0.33
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 2/20 0.32
CYBB P04839 1/20 0.32
CYP3A4 P08684 1/20 0.32
NOX1 Q9Y5S8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL2844654 0.87 NOX4 (0.50) NOX4CYBBCYP3A4NOX1
SCHEMBL1723241 0.67 NOX4 (0.53) NOX4CYBBCYP3A4NOX1
SCHEMBL2846433 0.67 NOX4 (0.56) NOX4CYBBCYP3A4NOX1
SCHEMBL1302005 0.66 NOX4 (0.56) NOX4CYBBCYP3A4NOX1
SCHEMBL6763210 0.65 PRKX (0.58) NOX4NOTUMALDH1A1KDM4EL3MBTL1
SCHEMBL1302490 0.62 NOX4 (0.55) NOX4CYBBCYP3A4NOX1
SCHEMBL7577911 0.62 NOTUM (0.43) NOTUMHTTALDH1A1KDM4EL3MBTL1
SCHEMBL7070074 0.62 ALDH1A1 (0.69) NOX4NOTUMHTTALDH1A1KDM4E
SCHEMBL10995515 0.61 ALDH1A1 (0.41) NOTUMHTTALDH1A1KDM4EL3MBTL1
SCHEMBL27756001 0.61 DAO (0.56)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2344492-A1 PYRAZOLO PYRIDINE DERIVATIVES AS NADPH OXIDASE INHIBITORS GenKyoTex SA (CH) 2011-07-20 EP disclosed