SCHEMBL8076773

SCHEMBL8076773

COC(=O)c1nc(Cl)c(N2CCN(c3nc(N4CCNCC4C(=O)OC(C)(C)C)c4cc(OC)c(OC)cc4n3)CC2)nc1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.42
ALDH1A1 P00352 5/20 0.42
HPGD P15428 5/20 0.42
APAF1 O14727 1/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
UBE2N P61088 1/20 0.42
WHR1 P49842 2/20 0.41
ADRA1D P25100 2/20 0.40
ADRA1A P35348 2/20 0.40
ADRA1B P35368 2/20 0.40
TLR9 Q9NR96 1/20 0.40
TLR7 Q9NYK1 1/20 0.40
GLA P06280 4/20 0.40
HSD17B10 Q99714 3/20 0.40
GAA P10253 3/20 0.40
MAPK1 P28482 2/20 0.40
TP53 P04637 1/20 0.40
TSHR P16473 1/20 0.40
SLC22A1 O15245 1/20 0.40

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
SCHEMBL8075717 0.94 WHR1 (0.42) KDM4EALDH1A1HPGDAPAF1POLB
SCHEMBL8071626 0.92 KDM4E (0.39) KDM4EALDH1A1HPGDAPAF1POLB
SCHEMBL8070279 0.85 KDM4E (0.51) KDM4EALDH1A1HPGDAPAF1POLB
SCHEMBL8076777 0.82 TLR9 (0.58) KDM4EALDH1A1HPGDWHR1ADRA1D
SCHEMBL8070307 0.80 SMN1; SMN2 (0.47) KDM4EALDH1A1HPGDAPAF1POLB
SCHEMBL8076201 0.78 KDM4E (0.58) KDM4EALDH1A1HPGDAPAF1POLB
SCHEMBL8071848 0.76 TLR9 (0.60) KDM4EALDH1A1HPGDWHR1ADRA1D
SCHEMBL8071627 0.75 TLR9 (0.53) KDM4EALDH1A1HPGDWHR1ADRA1D
SCHEMBL8784027 0.71 KDM4E (0.52) KDM4EALDH1A1HPGDAPAF1POLB
Hydrochloric Acid SCHEMBL8786863 0.70 KDM4E (0.51) KDM4EALDH1A1HPGDAPAF1POLB

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