SCHEMBL8745936

SCHEMBL8745936

C=CCNC(=O)OC(C)c1ccccc1Cc1cnccn1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 3/20 0.35
KCNA3 P22001 1/20 0.35
POLB P06746 2/20 0.35
KDM4E B2RXH2 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
GAA P10253 1/20 0.34
CYP2C9 P11712 1/20 0.34
NAMPT P43490 1/20 0.34
SMN1; SMN2 Q16637 4/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
BACE1 P56817 1/20 0.33
PSMB5 P28074 1/20 0.33
FAAH O00519 1/20 0.33
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
NPC1 O15118 1/20 0.33
TP53 P04637 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
SCHEMBL8828255 0.87 SMN1; SMN2 (0.38) KCNA5KCNA3POLBKDM4EMEN1
SCHEMBL8828262 0.86 SMN1; SMN2 (0.37) KCNA5KCNA3POLBKDM4EMEN1
SCHEMBL8745922 0.85 KCNA5 (0.38) KCNA5KCNA3POLBKDM4EMEN1
SCHEMBL8828445 0.80 GAA (0.39) POLBKDM4EMEN1KMT2AGAA
SCHEMBL8828382 0.78 CYP1A2 (0.36) POLBKDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL8745918 0.78 HRH1 (0.35) POLBKDM4EMEN1KMT2AGAA
SCHEMBL8745943 0.73 NOTUM (0.37) POLBKDM4EMEN1KMT2AGAA
SCHEMBL8745959 0.71 HPGD (0.41) POLBKDM4EGAASMN1; SMN2ALDH1A1
SCHEMBL9711985 0.70 OPRM1 (0.49) POLBGAASMN1; SMN2ALDH1A1LMNA
SCHEMBL8745932 0.69 NOTUM (0.36) KDM4EMEN1KMT2AGAANAMPT

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