SCHEMBL3828643

SCHEMBL3828643

CCN(CC)c1ccc(C(=O)C(=O)c2ccc(NC)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.59
KMT2A Q03164 5/20 0.59
MEN1 O00255 4/20 0.59
NOX1 Q9Y5S8 3/20 0.59
MCL1 Q07820 2/20 0.59
POLB P06746 1/20 0.59
GAA P10253 1/20 0.59
RAB9A P51151 6/20 0.54
NPC1 O15118 5/20 0.54
ALDH1A1 P00352 4/20 0.50
LMNA P02545 3/20 0.50
TP53 P04637 3/20 0.49
TSHR P16473 3/20 0.49
MAPK1 P28482 2/20 0.49
USP2 O75604 1/20 0.49
PKM P14618 1/20 0.49
GFER P55789 2/20 0.48
NPSR1 Q6W5P4 2/20 0.48
HTT P42858 2/20 0.48
HDAC3 O15379 1/20 0.48

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
SCHEMBL1306139 0.87 MAPT (0.58) MAPTKMT2AMEN1NOX1MCL1
SCHEMBL8700270 0.87 EGFR (0.48) MAPTKMT2AMEN1NOX1MCL1
SCHEMBL6141824 0.85 MAPT (0.55) MAPTKMT2AMEN1NOX1MCL1
SCHEMBL4140392 0.81 CES2 (0.52) RAB9ANPC1ALDH1A1TP53TSHR
SCHEMBL3047824 0.81 ESRRG (0.56) MAPTKMT2AMEN1NOX1MCL1
SCHEMBL3829871 0.80 RAB9A (0.63) MAPTKMT2AMEN1NOX1MCL1
SCHEMBL8695963 0.80 RAB9A (0.63) MAPTKMT2AMEN1NOX1MCL1
SCHEMBL16561453 0.80 ESRRG (0.59) MAPTKMT2AMEN1NOX1MCL1
SCHEMBL14982110 0.80 RAB9A (0.63) MAPTKMT2AMEN1NOX1MCL1
SCHEMBL3828546 0.80 HPGD (0.42) MAPTKMT2AMEN1NOX1MCL1

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-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
US-5756527-A ANTICARCINOGENIC AGENTS ONTOGEN CORPORATION (US) 1998-05-26 US disclosed
EP-0812830-A1 Modulators of multi-drug resistances ONTOGEN CORPORATION (US) 1997-12-17 EP disclosed