SCHEMBL8745918

SCHEMBL8745918

CC(OC(=O)N(C)C)c1ccccc1Cc1cnccn1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 4/20 0.35
CYP2D6 P10635 3/20 0.35
CHRM1 P11229 1/20 0.35
HTR2A P28223 1/20 0.35
KCNH2 Q12809 1/20 0.35
FNTA P49354 1/20 0.35
FNTB P49356 1/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
KDM4E B2RXH2 2/20 0.34
POLB P06746 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
VNN1 O95497 1/20 0.34
ALDH1A1 P00352 2/20 0.34
PSMB5 P28074 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
CYP3A4 P08684 1/20 0.33

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
SCHEMBL8828382 0.86 CYP1A2 (0.36) HRH1CYP2D6CHRM1HTR2AKCNH2
SCHEMBL8828262 0.85 SMN1; SMN2 (0.37) MEN1KMT2AKDM4EPOLBSMN1; SMN2
SCHEMBL8828255 0.82 SMN1; SMN2 (0.38) MEN1KMT2AKDM4EPOLBSMN1; SMN2
SCHEMBL8745922 0.80 KCNA5 (0.38) MEN1KMT2AKDM4EPOLBSMN1; SMN2
SCHEMBL8745936 0.78 KCNA5 (0.35) MEN1KMT2AKDM4EPOLBSMN1; SMN2
SCHEMBL8745965 0.78 HRH1 (0.37) HRH1CYP2D6CHRM1HTR2AKCNH2
SCHEMBL8745917 0.67 HPGD (0.41) KDM4EGAACYP3A4
SCHEMBL8550005 0.67 NPC1 (0.34) POLBCYP3A4
SCHEMBL28213057 0.66 TSHR (0.42) MEN1KMT2AKDM4EVNN1ALDH1A1
SCHEMBL28544303 0.66 HTT (0.44) HRH1CYP2D6CHRM1HTR2AKCNH2

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