SCHEMBL16622932

SCHEMBL16622932

Cc1c2c(=O)n(-c3ccccc3Cl)[nH]c2cc(=O)n1Cc1ccc(O)nc1

nearest known ligand 0.68

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NOX4 Q9NPH5 20/20 0.68
CYBB P04839 2/20 0.67
CYP3A4 P08684 2/20 0.67
NOX1 Q9Y5S8 1/20 0.67
CYP2C8 P10632 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51

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
SCHEMBL29522767 0.87 NOX4 (0.66) NOX4CYBBCYP3A4NOX1CYP2C8
SCHEMBL14931767 0.87 NOX4 (0.66) NOX4CYBBCYP3A4NOX1CYP2C8
SCHEMBL12107202 0.86 NOX4 (0.77) NOX4CYBBCYP3A4NOX1CYP2C8
SCHEMBL14931743 0.85 NOX4 (0.75) NOX4CYBBCYP3A4NOX1CYP2C8
SCHEMBL29522756 0.85 NOX4 (0.75) NOX4CYBBCYP3A4NOX1CYP2C8
SCHEMBL1302409 0.82 NOX4 (0.72) NOX4CYBBCYP3A4NOX1
SCHEMBL1723441 0.81 NOX4 (1.00) NOX4CYBBCYP3A4NOX1
SCHEMBL30637790 0.81 NOX4 (1.00) NOX4CYBBCYP3A4NOX1
SCHEMBL1303321 0.80 NOX4 (1.00) NOX4CYBBCYP3A4NOX1
SCHEMBL1303296 0.80 NOX4 (0.71) NOX4CYBBCYP3A4NOX1CYP2C8

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-2857399-A1 Compounds useful for the treatment of PDE5 inhibitor-poorly responsive erectile dysfunction GenKyoTex SA (CH) 2015-04-08 EP disclosed