SCHEMBL3831111

SCHEMBL3831111

CCN(CC)Cc1ccc(-c2[nH]c(-c3ccc(/C=C/C(=O)OC)cc3)nc2-c2ccc(C)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 1/20 0.48
▸ ADORA3 P0DMS8 1/20 0.44
▸ ADORA2B P29275 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ GLA P06280 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ ABCB1 P08183 1/20 0.44
▸ NR1H4 Q96RI1 2/20 0.42
▸ SMPD3 Q9NY59 1/20 0.42
▸ SELP P16109 4/20 0.42
▸ SELE P16581 2/20 0.42
▸ MAPT P10636 1/20 0.41
▸ ALOX5 P09917 4/20 0.40
▸ RAF1 P04049 1/20 0.39
▸ MAPK13 O15264 1/20 0.39
▸ GCGR P47871 1/20 0.39

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
SCHEMBL6611775 0.96 PTPN1 (0.51) PTPN1ADORA3ADORA2BKDM4EMEN1
SCHEMBL32673048 0.76 PTPN1 (0.52) PTPN1ADORA3ADORA2BKDM4EMEN1
SCHEMBL13679693 0.72 PTPN1 (0.50) PTPN1ADORA3ADORA2BKDM4EMEN1
SCHEMBL13679655 0.70 PTPN1 (0.46) PTPN1ADORA3ADORA2BKDM4EMEN1
SCHEMBL13679673 0.70 PTPN1 (0.43) PTPN1ADORA3ADORA2BKDM4EMEN1
SCHEMBL13679695 0.70 NOX1 (0.45) PTPN1ADORA3ADORA2BKDM4EMEN1
SCHEMBL8001395 0.69 MEN1 (0.54) PTPN1ADORA3ADORA2BKDM4EMEN1
SCHEMBL13780575 0.69 MAPT (0.47) PTPN1ADORA3ADORA2BKDM4EMEN1
SCHEMBL504081 0.68 CA12 (0.72) PTPN1KDM4EALDH1A1GAAHPGD
SCHEMBL2472987 0.68 CA12 (0.72) PTPN1KDM4EALDH1A1GAAHPGD

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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