SCHEMBL11598554

SCHEMBL11598554

CCOC(=O)/C=C\c1cnc[nH]1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.69
KMT2A Q03164 1/20 0.69
CYP3A4 P08684 2/20 0.58
KDM4E B2RXH2 2/20 0.58
BLM P54132 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
TSHR P16473 1/20 0.58
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
AOC1 P19801 2/20 0.44
TTR P02766 1/20 0.43
DPP4 P27487 1/20 0.43
CCNC P24863 3/20 0.42
CDK8 P49336 3/20 0.42
CDK19 Q9BWU1 1/20 0.42
NPC1 O15118 1/20 0.42

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
SCHEMBL11598556 1.00 MEN1 (0.69) MEN1KMT2ACYP3A4KDM4EBLM
SCHEMBL2567149 1.00 MEN1 (0.69) MEN1KMT2ACYP3A4KDM4EBLM
SCHEMBL21334959 0.82 KMT2A (1.00) MEN1KMT2ACYP3A4KDM4EBLM
SCHEMBL8552929 0.82 KMT2A (1.00) MEN1KMT2ACYP3A4KDM4EBLM
SCHEMBL22392209 0.80 MEN1 (0.58) MEN1KMT2ACYP3A4KDM4EBLM
SCHEMBL22392207 0.79 MEN1 (0.57) MEN1KMT2ACYP3A4KDM4EBLM
Cis-Urocanic Acid SCHEMBL338885 0.74 CYP3A4 (1.00) MEN1KMT2ACYP3A4KDM4EBLM
SCHEMBL13103009 0.73 TTR (0.48) MEN1KMT2ACYP3A4KDM4ECA12
SCHEMBL1080462 0.73 RAB9A (0.51) CYP3A4CA12CA1CA2CA7
SCHEMBL1080463 0.73 RAB9A (0.51) CYP3A4CA12CA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-54119460-A None JP disclosed
JP-S54119460-A IMIDAZOLE DERIVATIVE AJINOMOTO CO INC 1979-09-17 JP disclosed