SCHEMBL28969441

SCHEMBL28969441

CN(CCO)CCNC(=O)C(N)=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.33
KDM4E B2RXH2 2/20 0.33
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
MAPT P10636 1/20 0.31
CHEK1 O14757 1/20 0.31
DAPK3 O43293 1/20 0.31
ROCK2 O75116 1/20 0.31
CHEK2 O96017 1/20 0.31
PRKCG P05129 1/20 0.31
CDK1 P06493 1/20 0.31
PIM1 P11309 1/20 0.31
RPS6KB1 P23443 1/20 0.31
CDK2 P24941 1/20 0.31
AKT1 P31749 1/20 0.31
AKT2 P31751 1/20 0.31
MAPKAPK2 P49137 1/20 0.31
RPS6KA3 P51812 1/20 0.31
NEK2 P51955 1/20 0.31
LIMK1 P53667 1/20 0.31

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
SCHEMBL14436497 0.84 MAPT (0.33) MEN1KMT2AMAPTCHEK1DAPK3
SCHEMBL3760526 0.79 DNM1 (0.44) GAAKDM4EMEN1KMT2AMAPT
SCHEMBL9414201 0.79 KDM4E (0.35) KDM4EMEN1KMT2AMAPT
SCHEMBL25204410 0.78 MAPT (0.35) KDM4EMEN1KMT2AMAPT
SCHEMBL9547380 0.78 KDM4E (0.44) KDM4E
SCHEMBL9003285 0.76 DNM1 (0.38) KDM4EMEN1KMT2AMAPT
SCHEMBL9547373 0.76 MAPT (0.33) MEN1KMT2AMAPT
SCHEMBL1245538 0.76 KDM4E (0.53) GAAKDM4EMEN1KMT2A
SCHEMBL16382084 0.74 CHEK1 (0.40) KDM4ECHEK1DAPK3ROCK2CHEK2
SCHEMBL8322672 0.74 DNM1 (0.37) KDM4EMEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115785369-A Polyurethane chain extender and high-strength polyurethane 西安交通大学 2023-03-14 CN disclosed