SCHEMBL6470178

SCHEMBL6470178

COc1nc2ccccc2cc1CCCCN

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 15/20 0.51
MAPT P10636 1/20 0.40
BTK Q06187 1/20 0.40
KDM4E B2RXH2 1/20 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
SCHEMBL10919184 0.78 ALDH1A1 (0.50) TLR8MAPTBTKKDM4E
SCHEMBL24851768 0.76 KMT2A (0.59) TLR8MAPTBTKKDM4E
SCHEMBL30162418 0.76 TLR8 (0.45) TLR8MAPTBTKKDM4E
SCHEMBL24852090 0.76 ALDH1A1 (0.45) TLR8MAPTBTKKDM4E
SCHEMBL30162608 0.76 KMT2A (0.59) TLR8MAPTBTKKDM4E
SCHEMBL24853011 0.76 TLR8 (0.45) TLR8MAPTBTKKDM4E
SCHEMBL13197354 0.74 CYP1A2 (0.47) TLR8MAPTBTK
SCHEMBL30162784 0.74 ALDH1A1 (0.43) TLR8MAPTBTKKDM4E
SCHEMBL6575516 0.74 BCL2L11 (0.46) TLR8MAPTBTKKDM4E
Acridine SCHEMBL27894463 0.73 MAPT (0.68) TLR8MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005007143-A2 USE OF MAKROLIDES AND KETOLIDES FOR THE TREATMENT OF TUBERCULOSIS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2005-01-27 WO disclosed