SCHEMBL8745922

SCHEMBL8745922

CCCNC(=O)OC(C)c1ccccc1Cc1cnccn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 3/20 0.38
KCNA3 P22001 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
SMN1; SMN2 Q16637 3/20 0.36
POLB P06746 2/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 3/20 0.36
ALDH1A1 P00352 1/20 0.36
RAB9A P51151 2/20 0.35
CTSK P43235 2/20 0.35
NPC1 O15118 1/20 0.34
TP53 P04637 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
HPGD P15428 1/20 0.34
VNN1 O95497 1/20 0.34
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 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
SCHEMBL8828255 0.91 SMN1; SMN2 (0.38) KCNA5KCNA3MEN1KMT2ASMN1; SMN2
SCHEMBL8828262 0.88 SMN1; SMN2 (0.37) KCNA5KCNA3MEN1KMT2ASMN1; SMN2
SCHEMBL8745936 0.85 KCNA5 (0.35) KCNA5KCNA3MEN1KMT2ASMN1; SMN2
SCHEMBL8828382 0.80 CYP1A2 (0.36) MEN1KMT2ASMN1; SMN2POLBKDM4E
SCHEMBL8745918 0.80 HRH1 (0.35) MEN1KMT2ASMN1; SMN2POLBKDM4E
SCHEMBL8828387 0.71 EPHX1 (0.42) KCNA5MEN1KMT2ASMN1; SMN2POLB
SCHEMBL10639479 0.68 OPRM1 (0.51) KCNA5KCNA3SMN1; SMN2POLBLMNA
SCHEMBL8745948 0.67 POLB (0.39) MEN1KMT2ASMN1; SMN2POLBKDM4E
SCHEMBL8745960 0.65 SMN1; SMN2 (0.37) MEN1KMT2ASMN1; SMN2POLBKDM4E
SCHEMBL7719022 0.64 KMT2A (0.54) MEN1KMT2APOLBLMNAALDH1A1

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