SCHEMBL3828912

SCHEMBL3828912

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

nearest known ligand 0.69

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 1/20 0.69
▸ NOX1 Q9Y5S8 2/20 0.50
▸ ALOX5 P09917 6/20 0.45
▸ PTPN1 P18031 1/20 0.38
▸ MAPT P10636 3/20 0.37
▸ TP53 P04637 2/20 0.37
▸ SIRT2 Q8IXJ6 1/20 0.35
▸ SIRT1 Q96EB6 1/20 0.35
▸ SELP P16109 2/20 0.33
▸ SELE P16581 1/20 0.33

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 0.93 ABCB1 (0.69) ABCB1NOX1ALOX5PTPN1MAPT
SCHEMBL717762 0.91 ABCB1 (0.68) ABCB1NOX1ALOX5PTPN1MAPT
SCHEMBL13679699 0.86 ABCB1 (0.92) ABCB1NOX1ALOX5PTPN1MAPT
SCHEMBL3830858 0.86 ABCB1 (0.92) ABCB1NOX1ALOX5PTPN1MAPT
SCHEMBL3860839 0.86 NOX1 (0.55) ABCB1NOX1ALOX5PTPN1MAPT
SCHEMBL6621640 0.84 ABCB1 (0.57) ABCB1NOX1ALOX5PTPN1MAPT
SCHEMBL4442601 0.84 ABCB1 (0.68) ABCB1NOX1ALOX5PTPN1MAPT
SCHEMBL3824112 0.83 ABCB1 (0.60) ABCB1NOX1ALOX5PTPN1MAPT
SCHEMBL16448288 0.83 ABCB1 (0.68) ABCB1NOX1ALOX5PTPN1MAPT
SCHEMBL718305 0.83 ABCB1 (0.68) ABCB1NOX1ALOX5PTPN1MAPT

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 8 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-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-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
US-5840721-A INCREASE SENSITIVITY OF MULTIDRUG RESISTANT TUMOR CELLS TO ANTICANCER AGENTS ONTOGEN CORPORATION (US) 1998-11-24 — — US disclosed
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