SCHEMBL6421705

SCHEMBL6421705

[N]CCCCn1cnc(-c2ccc(Cl)cc2)c1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.39
MAP4K4 O95819 1/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
PHF8 Q9UPP1 1/20 0.36
KDM4A O75164 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
NPC1 O15118 2/20 0.35
KDM5B Q9UGL1 1/20 0.35
MAPK1 P28482 1/20 0.35
RAB9A P51151 1/20 0.35
ENPP2 Q13822 1/20 0.35

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
SCHEMBL6421708 0.85 TLR8 (0.42) TLR8MAP4K4ALDH1A1KDM4EPHF8
SCHEMBL8653720 0.85 QPCT (0.42) TLR8ALDH1A1KDM4EKDM4AKDM4C
SCHEMBL8657334 0.84 PDE10A (0.46) TLR8PHF8KDM4CNPC1KDM5B
SCHEMBL27368362 0.83 MAP4K4 (0.39) TLR8MAP4K4ALDH1A1KDM4EPHF8
SCHEMBL8656078 0.81 MAPT (0.49) TLR8ALDH1A1KDM4ENPC1MAPK1
SCHEMBL8093014 0.77 TSHR (0.49) ALDH1A1
SCHEMBL28895999 0.77 CYP3A4 (0.54) TLR8MAP4K4ALDH1A1KDM4EPHF8
SCHEMBL5514755 0.77 ALDH1A1 (0.39) ALDH1A1KDM5B
SCHEMBL6423436 0.75 CYP2A6 (0.65) TLR8ALDH1A1
SCHEMBL8653314 0.72 TLR8 (0.48) TLR8ALDH1A1KDM4ENPC1MAPK1

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-0680967-B1 Erythromycin derivatives, their process of preparation and their use as medicaments HOECHST MARION ROUSSEL INC (FR) 1998-10-14 EP 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-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