SCHEMBL8809099

SCHEMBL8809099

COCCCc1ccc(-c2nc(-c3ccc(N(C)C)cc3)c(-c3ccc(N(C)C)cc3)[nH]2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOX1 Q9Y5S8 2/20 0.61
▸ ALOX5 P09917 6/20 0.54
▸ GCGR P47871 3/20 0.50
▸ MAPT P10636 4/20 0.44
▸ TP53 P04637 3/20 0.44
▸ BRAF P15056 2/20 0.41
▸ MAPK13 O15264 3/20 0.41
▸ MAPK12 P53778 3/20 0.41
▸ MAPK11 Q15759 3/20 0.41
▸ MAPK14 Q16539 3/20 0.41
▸ RAF1 P04049 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ GLA P06280 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ GFER P55789 1/20 0.39

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
SCHEMBL8808307 0.88 NOX1 (0.58) NOX1ALOX5GCGRMAPTTP53
SCHEMBL8810289 0.82 NOX1 (0.62) NOX1ALOX5GCGRMAPTTP53
SCHEMBL6467424 0.78 NOX1 (0.72) NOX1ALOX5GCGRMAPTTP53
SCHEMBL6620986 0.77 ABCB1 (0.56) NOX1ALOX5GCGRMAPTTP53
SCHEMBL1071183 0.76 NOX1 (1.00) NOX1ALOX5GCGRMAPTTP53
SCHEMBL6619832 0.75 NOX1 (0.60) NOX1ALOX5GCGRMAPTTP53
SCHEMBL8032578 0.75 NOX1 (0.76) NOX1ALOX5GCGRMAPTTP53
SCHEMBL5622957 0.75 ALOX5 (0.87) NOX1ALOX5GCGRMAPTBRAF
SCHEMBL6468252 0.75 NOX1 (0.76) NOX1ALOX5GCGRMAPTTP53
SCHEMBL8810519 0.75 MPO (0.57) NOX1ALOX5MAPTTP53KDM4E

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-0812830-A1 Modulators of multi-drug resistances ONTOGEN CORPORATION (US) 1997-12-17 — — EP disclosed
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