SCHEMBL28535684

SCHEMBL28535684

C=C(C)C(=O)NCCCCNCCC#N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 5/20 0.41
KDM4E B2RXH2 2/20 0.36
MAPK1 P28482 1/20 0.35
HIF1A Q16665 1/20 0.35
CA12 O43570 1/20 0.33
CA2 P00918 1/20 0.33
CA3 P07451 1/20 0.33
CA4 P22748 1/20 0.33
CA6 P23280 1/20 0.33
CA5A P35218 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
CA5B Q9Y2D0 1/20 0.33
DNM1 Q05193 5/20 0.32
EGFR P00533 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
ZDHHC20 Q5W0Z9 1/20 0.30
ZDHHC2 Q9UIJ5 1/20 0.30

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
SCHEMBL21624427 0.98 PAOX (0.40) PAOXKDM4EMAPK1HIF1ACA12
SCHEMBL28907469 0.90 MCL1 (0.32) MCL1
SCHEMBL1681786 0.86 KDM4E (0.35) PAOXKDM4EMAPK1HIF1ADNM1
SCHEMBL491407 0.86 MAPT (0.38) MAPK1MCL1
SCHEMBL907569 0.80 KDM4E (0.52) PAOXKDM4EMAPK1HIF1ACA12
SCHEMBL3280464 0.79 PAOX (0.55) PAOXKDM4EMAPK1HIF1AZDHHC20
SCHEMBL3279963 0.79 PAOX (0.55) PAOXZDHHC20ZDHHC2
SCHEMBL3279918 0.79 PAOX (0.66) PAOXKDM4EMAPK1HIF1ACA12
SCHEMBL21623913 0.78 MCL1 (0.55) PAOXKDM4EMAPK1HIF1AMEN1
SCHEMBL8775499 0.78 KDM4E (0.56) PAOXKDM4EMAPK1HIF1AMEN1

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
CN-112424161-B Process for preparing C-H acidic (meth) acrylic compounds 赢创运营有限公司 2023-08-04 CN disclosed
CN-112424163-B CH-acidic methacrylates for preparing aqueous polymer dispersions 赢创运营有限公司 2023-06-23 CN disclosed
CN-112424161-A Method for producing C-H acidic (meth) acrylic compounds 赢创运营有限公司 2021-02-26 CN disclosed