SCHEMBL3830694

SCHEMBL3830694

CCN(CC)c1ccc(-c2nc(-c3ccccc3/C=C/c3nc4ccccc4o3)[nH]c2-c2ccc(NC)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.37
▸ NPC1 O15118 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ USP2 O75604 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ CASP1 P29466 1/20 0.36
▸ BRCA1 P38398 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ CASP7 P55210 1/20 0.36
▸ HBB P68871 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ PTK2B Q14289 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ NOX1 Q9Y5S8 1/20 0.35
▸ ATP4A P20648 3/20 0.34
▸ ATP4B P51164 3/20 0.34

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
SCHEMBL3824183 0.91 NOX1 (0.45) MEN1NPC1RAB9AKMT2ATP53
SCHEMBL6609826 0.84 NOX1 (0.51) MEN1NPC1RAB9AKMT2ATP53
SCHEMBL3825381 0.83 KDM4E (0.36) MEN1NPC1RAB9AKMT2AUSP2
SCHEMBL8723120 0.83 MAPT (0.36) MEN1NPC1RAB9AKMT2AUSP2
SCHEMBL3828923 0.80 NOX1 (0.40) MEN1NPC1RAB9AKMT2AUSP2
SCHEMBL8720952 0.73 MAPT (0.43) MEN1NPC1RAB9AKMT2ATP53
SCHEMBL3826536 0.72 MEN1 (0.48) MEN1NPC1RAB9AKMT2ALMNA
SCHEMBL3826599 0.70 MEN1 (0.37) MEN1KMT2APOLBMAPTNOX1
SCHEMBL2494945 0.69 ATP4A (0.61) MEN1NPC1RAB9AKMT2AUSP2
SCHEMBL2494947 0.69 ATP4A (0.61) MEN1NPC1RAB9AKMT2AUSP2

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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