SCHEMBL8071848

SCHEMBL8071848

COc1cc2nc(N3CCN(c4nc(N)c(C(=O)O)nc4Cl)CC3)nc(N3CCN(C(=O)OC(C)(C)C)CC3)c2cc1OC

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 5/20 0.60
TLR7 Q9NYK1 2/20 0.60
WHR1 P49842 2/20 0.50
KMT5A Q9NQR1 1/20 0.47
KDM4E B2RXH2 5/20 0.47
ALDH1A1 P00352 4/20 0.47
HPGD P15428 4/20 0.47
GLA P06280 4/20 0.47
HSD17B10 Q99714 3/20 0.47
GAA P10253 3/20 0.47
MAPK1 P28482 2/20 0.47
TP53 P04637 1/20 0.47
TSHR P16473 1/20 0.47
SLC22A1 O15245 1/20 0.47
ABCC4 O15439 1/20 0.47
LMNA P02545 1/20 0.47
ADRA2A P08913 1/20 0.47
ADRA2B P18089 1/20 0.47
ADRA2C P18825 1/20 0.47
DRD1 P21728 1/20 0.47

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
SCHEMBL8076777 0.93 TLR9 (0.58) TLR9TLR7WHR1KMT5AKDM4E
SCHEMBL8071627 0.89 TLR9 (0.53) TLR9TLR7WHR1KMT5AKDM4E
SCHEMBL8076201 0.85 KDM4E (0.58) WHR1KDM4EALDH1A1HPGDGLA
SCHEMBL8075717 0.82 WHR1 (0.42) TLR9TLR7WHR1KDM4EALDH1A1
SCHEMBL2923197 0.81 TLR9 (0.66) TLR9TLR7WHR1KMT5AKDM4E
SCHEMBL2918315 0.80 TLR9 (0.66) TLR9TLR7KMT5AALDH1A1ACHE
SCHEMBL19385275 0.77 TLR9 (0.67) TLR9TLR7WHR1KMT5AALDH1A1
SCHEMBL29937021 0.77 TLR9 (0.73) TLR9TLR7WHR1KMT5AKDM4E
SCHEMBL19385278 0.77 TLR9 (0.73) TLR9TLR7WHR1KMT5AKDM4E
SCHEMBL8076773 0.76 KDM4E (0.42) TLR9TLR7WHR1KDM4EALDH1A1

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
US-6156758-A Antibacterial quinazoline compounds ISIS PHARMACEUTICALS, INC. (US) 2000-12-05 US disclosed