SCHEMBL8810289

SCHEMBL8810289

COCCOc1ccc(-c2nc(-c3ccc(N(C)C)cc3)c(-c3ccc(N(C)C)cc3)[nH]2)cc1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NOX1 Q9Y5S8 2/20 0.62
▸ ALOX5 P09917 3/20 0.55
▸ BRAF P15056 8/20 0.52
▸ MEN1 O00255 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ TP53 P04637 2/20 0.47
▸ MAPT P10636 2/20 0.47
▸ MAPK13 O15264 2/20 0.47
▸ MAPK12 P53778 2/20 0.47
▸ MAPK11 Q15759 2/20 0.47
▸ MAPK14 Q16539 2/20 0.47
▸ RAF1 P04049 1/20 0.47
▸ AURKA O14965 1/20 0.46
▸ GCGR P47871 1/20 0.46

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
SCHEMBL6467424 0.84 NOX1 (0.72) NOX1ALOX5MEN1KMT2ATP53
SCHEMBL8810519 0.83 MPO (0.57) NOX1ALOX5MEN1KMT2ATP53
SCHEMBL8809099 0.82 NOX1 (0.61) NOX1ALOX5BRAFMEN1KMT2A
SCHEMBL6620986 0.80 ABCB1 (0.56) NOX1ALOX5BRAFMEN1KMT2A
SCHEMBL1071183 0.77 NOX1 (1.00) NOX1ALOX5BRAFMEN1KMT2A
SCHEMBL6619832 0.76 NOX1 (0.60) NOX1ALOX5MEN1KMT2ATP53
SCHEMBL6468252 0.76 NOX1 (0.76) NOX1ALOX5TP53MAPTMAPK13
SCHEMBL8032578 0.76 NOX1 (0.76) NOX1ALOX5BRAFTP53MAPT
SCHEMBL5622957 0.76 ALOX5 (0.87) NOX1ALOX5BRAFMEN1KMT2A
SCHEMBL8797140 0.74 RAF1 (0.67) NOX1ALOX5MEN1KMT2AMAPT

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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