SCHEMBL8745939

SCHEMBL8745939

CCc1ccccc1C(OC(=O)C(C)(C)C)c1cnccn1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.35
KMT2A Q03164 3/20 0.35
KDM4E B2RXH2 3/20 0.35
POLB P06746 2/20 0.35
MEN1 O00255 2/20 0.35
RAB9A P51151 3/20 0.34
NPC1 O15118 2/20 0.34
TP53 P04637 1/20 0.34
THRB P10828 2/20 0.34
GAA P10253 1/20 0.34
LMNA P02545 3/20 0.33
SGMS2 Q8NHU3 1/20 0.33
CCNC P24863 1/20 0.33
CDK8 P49336 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HTT P42858 1/20 0.32
CYP2C19 P33261 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL8745960 0.83 SMN1; SMN2 (0.37) SMN1; SMN2KMT2AKDM4EPOLBMEN1
SCHEMBL8745948 0.82 POLB (0.39) SMN1; SMN2KMT2AKDM4EPOLBMEN1
SCHEMBL8550007 0.80 CTSA (0.33) SMN1; SMN2LMNAL3MBTL1CYP2C19CYP1A2
SCHEMBL8745937 0.75 ATM (0.41) SMN1; SMN2KMT2AKDM4EPOLBMEN1
SCHEMBL8828382 0.73 CYP1A2 (0.36) SMN1; SMN2KMT2AKDM4EPOLBMEN1
SCHEMBL8745912 0.71 NOTUM (0.40) SMN1; SMN2KMT2AKDM4EPOLBMEN1
SCHEMBL8745919 0.70 HPGD (0.41) SMN1; SMN2KMT2AKDM4EPOLBMEN1
SCHEMBL8745957 0.70 SMN1; SMN2 (0.36) SMN1; SMN2KMT2AKDM4EPOLBMEN1
SCHEMBL8745946 0.70 KDM4E (0.39) SMN1; SMN2KMT2AKDM4EPOLBMEN1
SCHEMBL8745975 0.68 GAA (0.36) KMT2AKDM4EPOLBGAALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5672567-A PRE- AND POST-EMERGENCE ZENECA LIMITED (GB) 1997-09-30 US disclosed
US-5670453-A PYRAZINEARYL COMPOUND ZENECA LIMITED (GB) 1997-09-23 US disclosed
EP-0758323-A1 HERBICIDAL HYDROXYBENZYL-SUBSTITUTED HETEROARYL COMPOUNDS AND DERIVATIVES THEREOF ZENECA LIMITED (GB) 1997-02-19 EP disclosed
WO-1995029898-A1 HERBICIDAL HYDROXYBENZYL-SUBSTITUTED HETEROARYL COMPOUNDS AND DERIVATIVES THEREOF ZENECA LIMITED (GB) 1995-11-09 WO disclosed