SCHEMBL6621640

SCHEMBL6621640

CCCCOC/C=C/c1ccc(-c2nc(-c3ccc(N(C)C)cc3)c(-c3ccc(N(C)C)cc3)[nH]2)cc1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 1/20 0.57
▸ NOX1 Q9Y5S8 2/20 0.54
▸ ALOX5 P09917 2/20 0.48
▸ GCGR P47871 3/20 0.41
▸ PTPN1 P18031 1/20 0.40
▸ BRAF P15056 2/20 0.40
▸ TP53 P04637 3/20 0.39
▸ MAPT P10636 3/20 0.39
▸ SELP P16109 2/20 0.38
▸ SELE P16581 1/20 0.38
▸ MAPK13 O15264 1/20 0.37
▸ RAF1 P04049 1/20 0.37
▸ MAPK12 P53778 1/20 0.37
▸ MAPK11 Q15759 1/20 0.37
▸ MAPK14 Q16539 1/20 0.37

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
SCHEMBL6625154 0.90 ABCB1 (0.69) ABCB1NOX1ALOX5GCGRPTPN1
SCHEMBL6620986 0.88 ABCB1 (0.56) ABCB1NOX1ALOX5GCGRPTPN1
SCHEMBL6619832 0.86 NOX1 (0.60) ABCB1NOX1ALOX5GCGRPTPN1
SCHEMBL3828912 0.84 ABCB1 (0.69) ABCB1NOX1ALOX5PTPN1TP53
SCHEMBL6621400 0.84 NOX1 (0.61) ABCB1NOX1ALOX5GCGRPTPN1
SCHEMBL6608693 0.81 NOX1 (0.62) ABCB1NOX1ALOX5GCGRPTPN1
SCHEMBL6622165 0.81 NOX1 (0.62) ABCB1NOX1ALOX5GCGRPTPN1
SCHEMBL3824112 0.81 ABCB1 (0.60) ABCB1NOX1ALOX5PTPN1BRAF
SCHEMBL4442601 0.81 ABCB1 (0.68) ABCB1NOX1ALOX5GCGRPTPN1
SCHEMBL6619898 0.81 NOX1 (0.58) ABCB1NOX1ALOX5GCGRPTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0999835-B1 IMIDAZOLE DERIVATIVES AS MDR MODULATORS TAIJI BIOMEDICAL INC (US) 2009-09-09 — — EP disclosed
EP-2082740-A2 Use of imidazole derivatives as MDR modulators Taiji Biomedical, Inc. (US) 2009-07-29 — — EP disclosed
EP-0999835-A4 IMIDAZOLE DERIVATIVES AS MDR MODULATORS ONTOGEN CORP (US) 2004-08-25 — — EP disclosed
EP-0999835-A1 IMIDAZOLE DERIVATIVES AS MDR MODULATORS Ontogen Corporation (US) 2000-05-17 — — EP disclosed
WO-1999002155-A1 IMIDAZOLE DERIVATIVES AS MDR MODULATORS ONTOGEN CORPORATION (US) 1999-01-21 — — WO disclosed
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