SCHEMBL8828255

SCHEMBL8828255

CCNC(=O)OC(C)c1ccccc1Cc1cnccn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
POLB P06746 2/20 0.38
KDM4E B2RXH2 2/20 0.38
KCNA5 P22460 3/20 0.38
KCNA3 P22001 1/20 0.38
LMNA P02545 2/20 0.35
ALDH1A1 P00352 1/20 0.35
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.35
TP53 P04637 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
VNN1 O95497 1/20 0.35
PSMB5 P28074 1/20 0.35
GAA P10253 1/20 0.34
THRB P10828 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL8745922 0.91 KCNA5 (0.38) SMN1; SMN2MEN1KMT2APOLBKDM4E
SCHEMBL8828262 0.90 SMN1; SMN2 (0.37) SMN1; SMN2MEN1KMT2APOLBKDM4E
SCHEMBL8745936 0.87 KCNA5 (0.35) SMN1; SMN2MEN1KMT2APOLBKDM4E
SCHEMBL8828382 0.82 CYP1A2 (0.36) SMN1; SMN2MEN1KMT2APOLBKDM4E
SCHEMBL8745918 0.82 HRH1 (0.35) SMN1; SMN2MEN1KMT2APOLBKDM4E
SCHEMBL8828387 0.79 EPHX1 (0.42) SMN1; SMN2MEN1KMT2APOLBKDM4E
SCHEMBL8745948 0.75 POLB (0.39) SMN1; SMN2MEN1KMT2APOLBKDM4E
SCHEMBL8745912 0.70 NOTUM (0.40) SMN1; SMN2MEN1KMT2APOLBKDM4E
SCHEMBL8745957 0.70 SMN1; SMN2 (0.36) SMN1; SMN2MEN1KMT2APOLBKDM4E
SCHEMBL8745919 0.70 HPGD (0.41) SMN1; SMN2MEN1KMT2APOLBKDM4E

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 3 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
WO-1995029898-A1 HERBICIDAL HYDROXYBENZYL-SUBSTITUTED HETEROARYL COMPOUNDS AND DERIVATIVES THEREOF ZENECA LIMITED (GB) 1995-11-09 WO disclosed