SCHEMBL3829640

SCHEMBL3829640

CCNc1ccc(-c2nc(-c3ccc(/C=C/COCC)cc3)[nH]c2-c2ccc(NC(C)C)cc2)cc1

nearest known ligand 0.91

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 1/20 0.91
▸ PTPN1 P18031 1/20 0.37
▸ MAPT P10636 3/20 0.36
▸ NOX1 Q9Y5S8 2/20 0.34
▸ MAPK13 O15264 4/20 0.34
▸ MAPK12 P53778 4/20 0.34
▸ MAPK11 Q15759 4/20 0.34
▸ MAPK14 Q16539 4/20 0.34
▸ GCGR P47871 3/20 0.34
▸ ALOX5 P09917 2/20 0.34
▸ APP P05067 1/20 0.33
▸ SELP P16109 2/20 0.33
▸ SELE P16581 1/20 0.33
▸ TP53 P04637 2/20 0.32
▸ BRAF P15056 1/20 0.32
▸ RAF1 P04049 1/20 0.32

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
SCHEMBL13679717 1.00 ABCB1 (0.91) ABCB1PTPN1MAPTNOX1MAPK13
SCHEMBL3826448 0.95 ABCB1 (1.00) ABCB1PTPN1MAPTNOX1MAPK13
SCHEMBL719050 0.95 ABCB1 (1.00) ABCB1PTPN1MAPTNOX1MAPK13
SCHEMBL30357745 0.93 ABCB1 (0.87) ABCB1PTPN1MAPTNOX1MAPK13
SCHEMBL13679699 0.91 ABCB1 (0.92) ABCB1PTPN1MAPTNOX1MAPK13
SCHEMBL3830858 0.91 ABCB1 (0.92) ABCB1PTPN1MAPTNOX1MAPK13
SCHEMBL3824437 0.91 ABCB1 (0.91) ABCB1MAPK13MAPK12MAPK11MAPK14
SCHEMBL13780563 0.91 ABCB1 (0.91) ABCB1PTPN1MAPTNOX1MAPK13
SCHEMBL13679665 0.91 ABCB1 (0.91) ABCB1MAPK13MAPK12MAPK11MAPK14
SCHEMBL5468480 0.90 ABCB1 (0.89) ABCB1PTPN1MAPTNOX1MAPK11

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 6 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
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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