SCHEMBL6421312

SCHEMBL6421312

[N]CCCCn1cnc(-c2cccnc2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.49
HDAC6 Q9UBN7 4/20 0.49
CYP2A6 P11509 4/20 0.44
PPARA Q07869 1/20 0.43
ALDH1A1 P00352 4/20 0.42
USP2 O75604 1/20 0.42
LMNA P02545 3/20 0.41
HSD17B10 Q99714 2/20 0.41
HTT P42858 2/20 0.41
KDM4E B2RXH2 1/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CYP2E1 P05181 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2B6 P20813 2/20 0.39
CYP2C19 P33261 2/20 0.39
NAMPT P43490 2/20 0.38

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
SCHEMBL6421317 0.87 HDAC1 (0.50) HDAC1HDAC6CYP2A6PPARAALDH1A1
SCHEMBL27483841 0.86 HDAC1 (0.51) HDAC1HDAC6CYP2A6PPARAALDH1A1
SCHEMBL5015554 0.81 HDAC1 (0.55) HDAC1HDAC6CYP2A6PPARAALDH1A1
SCHEMBL2641155 0.81 HDAC1 (0.52) HDAC1HDAC6CYP2A6PPARAALDH1A1
SCHEMBL2641158 0.81 HDAC1 (0.52) HDAC1HDAC6CYP2A6PPARAALDH1A1
SCHEMBL5015510 0.81 HDAC1 (0.55) HDAC1HDAC6CYP2A6PPARAALDH1A1
SCHEMBL12395816 0.81 HDAC1 (0.52) HDAC1HDAC6CYP2A6PPARAALDH1A1
SCHEMBL6688124 0.78 HDAC1 (0.54) HDAC1HDAC6CYP2A6PPARAALDH1A1
SCHEMBL12369723 0.78 HDAC1 (0.54) HDAC1HDAC6CYP2A6PPARAALDH1A1
SCHEMBL14086708 0.78 HDAC1 (0.49) HDAC1HDAC6CYP2A6PPARAALDH1A1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005074945-A2 KETOLIDE COMPOUNDS FOR THE TREATMENT OF ATHEROSCLEROSIS CAMBRIDGE THERANOSTICS LIMITED (GB) 2005-08-18 WO claimed
EP-1030673-B1 USE OF KETOLIDES FOR PREVENTING ARTERIAL THROMBOTIC COMPLICATIONS RELATED TO ATHEROSCLEROSIS AVENTIS PHARMA SA (FR) 2004-07-28 EP claimed
EP-0680967-B1 Erythromycin derivatives, their process of preparation and their use as medicaments HOECHST MARION ROUSSEL INC (FR) 1998-10-14 EP claimed
WO-1995029929-A1 NOVEL ERYTHROMYCIN DERIVATIVES, METHOD FOR THEIR PREPARATION AND THEIR USE AS DRUGS ROUSSEL UCLAF (FR) 1995-11-09 WO claimed
EP-0680967-A1 Erythromycin derivatives, their process of preparation and their use as medicaments ROUSSEL-UCLAF (FR) 1995-11-08 EP claimed
WO-2005074945-A2 KETOLIDE COMPOUNDS FOR THE TREATMENT OF ATHEROSCLEROSIS CAMBRIDGE THERANOSTICS LIMITED (GB) 2005-08-18 WO disclosed
EP-1030673-B1 USE OF KETOLIDES FOR PREVENTING ARTERIAL THROMBOTIC COMPLICATIONS RELATED TO ATHEROSCLEROSIS AVENTIS PHARMA SA (FR) 2004-07-28 EP disclosed
EP-0680967-B1 Erythromycin derivatives, their process of preparation and their use as medicaments HOECHST MARION ROUSSEL INC (FR) 1998-10-14 EP disclosed
EP-0680967-A1 Erythromycin derivatives, their process of preparation and their use as medicaments ROUSSEL-UCLAF (FR) 1995-11-08 EP disclosed