SCHEMBL6971722

SCHEMBL6971722

Cc1cc(C)c(CN(C)C)c(C)c1C=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.36
HSD17B10 Q99714 2/20 0.36
BRD4 O60885 6/20 0.35
BRD9 Q9H8M2 6/20 0.35
MCL1 Q07820 1/20 0.35
BRD2 P25440 3/20 0.33
BRD7 Q9NPI1 3/20 0.33
PGK1 P00558 1/20 0.32
PGK2 P07205 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GLA P06280 1/20 0.31
GAA P10253 1/20 0.31
CASP1 P29466 1/20 0.31
CASP7 P55210 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
MAOB P27338 3/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL6962732 0.82 ALDH1A1 (0.36) HPGDHSD17B10MCL1PGK1PGK2
SCHEMBL30631691 0.80 HPGD (0.40) HPGDHSD17B10MCL1PGK1PGK2
SCHEMBL18077441 0.79 HPGD (0.39) HPGDHSD17B10PGK1PGK2ALDH1A1
SCHEMBL6966666 0.77 HPGD (0.38) HPGDHSD17B10PGK1PGK2ALDH1A1
SCHEMBL8625037 0.77 HPGD (0.41) HPGDHSD17B10PGK1PGK2KDM4E
SCHEMBL30411660 0.77 HPGD (0.38) HPGDHSD17B10PGK1PGK2ALDH1A1
SCHEMBL9806987 0.76 HPGD (0.36) HPGDHSD17B10PGK1PGK2KDM4E
SCHEMBL22599825 0.76 HSD17B10 (0.37) HPGDHSD17B10PGK1PGK2ALDH1A1
SCHEMBL6551606 0.75 CYP3A4 (0.38) HPGDHSD17B10MCL1KDM4EALDH1A1
SCHEMBL20934702 0.73 HPGD (0.31) HPGDHSD17B10MAOBMEN1KMT2A

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
CN-1145623-C Imidazole derivatives - 2004-04-14 CN disclosed
EP-0797575-B1 IMIDAZOLE DERIVATIVES AS PROTEIN KINASE INHIBITORS IN PARTICULAR EGF-R TYROSINE KINASE HOFFMANN LA ROCHE (CH) 2003-10-15 EP disclosed
US-5959113-A REACTING A DIKETONE DERIVATIVE WITH AN ALDEHYDE DERIVATIVE; ADMINISTERING TO TREAT ATHEROSCLEROSIS, PSORIASIS, ALOPECIA AND TUMORS HOFFMANN-LA ROCHE INC. (US) 1999-09-28 US disclosed
CN-1175252-A Imidazole derivatives as protein kinase inhibitors in particular egf-rthyrosine kinase HOFFMANN LA ROCHE (CH) 1998-03-04 CN disclosed
EP-0797575-A1 IMIDAZOLE DERIVATIVES AS PROTEIN KINASE INHIBITORS IN PARTICULAR EGF-R TYROSINE KINASE F. HOFFMANN-LA ROCHE AG (CH) 1997-10-01 EP disclosed
WO-1996018626-A1 IMIDAZOLE DERIVATIVES AS PROTEIN KINASE INHIBITORS IN PARTICULAR EGF-R TYROSINE KINASE F. HOFFMANN-LA ROCHE AG (CH) 1996-06-20 WO disclosed