SCHEMBL3829982

SCHEMBL3829982

CNc1ccc(C(=O)C(=O)c2ccc(N3CCCC3)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.58
ALDH1A1 P00352 9/20 0.58
KMT2A Q03164 8/20 0.58
KDM4E B2RXH2 5/20 0.58
MEN1 O00255 3/20 0.58
GAA P10253 1/20 0.58
RAB9A P51151 9/20 0.57
NPC1 O15118 8/20 0.57
SMN1; SMN2 Q16637 7/20 0.57
MCL1 Q07820 3/20 0.57
LMNA P02545 2/20 0.57
L3MBTL1 Q9Y468 2/20 0.57
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2C19 P33261 1/20 0.57
GFER P55789 1/20 0.57
HDAC6 Q9UBN7 1/20 0.56
NPSR1 Q6W5P4 2/20 0.54
USP2 O75604 4/20 0.54
NR4A1 P22736 1/20 0.54

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
SCHEMBL3823870 0.98 CYP1A2 (0.59) MAPTALDH1A1KMT2AKDM4EMEN1
SCHEMBL3829986 0.87 MAPT (0.59) MAPTALDH1A1KMT2AKDM4EMEN1
SCHEMBL2174874 0.86 MAPT (0.58) MAPTALDH1A1KMT2AKDM4EMEN1
SCHEMBL1916616 0.84 CYP1A2 (0.59) MAPTALDH1A1KMT2AKDM4EMEN1
SCHEMBL17361558 0.82 MAPT (0.53) MAPTALDH1A1KMT2AKDM4EMEN1
SCHEMBL4140392 0.80 CES2 (0.52) ALDH1A1RAB9ANPC1CYP3A4TP53
SCHEMBL14982135 0.77 NPC1 (0.77) MAPTALDH1A1KMT2AKDM4EMEN1
SCHEMBL26398689 0.77 HDAC6 (0.71) MAPTALDH1A1KMT2AKDM4EMEN1
SCHEMBL16595812 0.77 NPC1 (0.65) MAPTALDH1A1KMT2AKDM4EMEN1
SCHEMBL14982133 0.76 GSK3B (0.58) MAPTALDH1A1KDM4ERAB9ANPC1

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