SCHEMBL8808307

SCHEMBL8808307

CCOCCCc1ccc(-c2nc(-c3ccc(N(C)C)cc3)c(-c3ccc(N(C)C)cc3)[nH]2)cc1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ NOX1 Q9Y5S8 2/20 0.58
▸ ALOX5 P09917 6/20 0.52
▸ GCGR P47871 1/20 0.51
▸ MAPT P10636 2/20 0.42
▸ TP53 P04637 1/20 0.42
▸ ABCB1 P08183 1/20 0.41
▸ BRAF P15056 2/20 0.40
▸ SIRT2 Q8IXJ6 1/20 0.40
▸ SIRT1 Q96EB6 1/20 0.40

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
SCHEMBL8809099 0.88 NOX1 (0.61) NOX1ALOX5GCGRMAPTTP53
SCHEMBL13780548 0.77 NOX1 (0.34) NOX1ALOX5GCGRSIRT2SIRT1
SCHEMBL6625154 0.76 ABCB1 (0.69) NOX1ALOX5GCGRMAPTTP53
SCHEMBL6621640 0.76 ABCB1 (0.57) NOX1ALOX5GCGRMAPTTP53
SCHEMBL1071183 0.75 NOX1 (1.00) NOX1ALOX5GCGRMAPTTP53
SCHEMBL6467424 0.74 NOX1 (0.72) NOX1ALOX5GCGRMAPTTP53
SCHEMBL6468252 0.73 NOX1 (0.76) NOX1ALOX5GCGRMAPTTP53
SCHEMBL8032578 0.73 NOX1 (0.76) NOX1ALOX5GCGRMAPTTP53
SCHEMBL5622957 0.73 ALOX5 (0.87) NOX1ALOX5GCGRMAPTBRAF
SCHEMBL8810289 0.73 NOX1 (0.62) NOX1ALOX5GCGRMAPTTP53

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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