SCHEMBL28035557

SCHEMBL28035557

CC(CCC#N)(CCC#N)C(N)=O

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MCL1 Q07820 1/20 0.37
DPP4 P27487 2/20 0.32
LOX P28300 1/20 0.31
LOXL3 P58215 1/20 0.31
LOXL2 Q9Y4K0 1/20 0.31
SLC1A2 P43004 1/20 0.31
ALDH1A1 P00352 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
NLRP3 Q96P20 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
SCHEMBL14795068 0.84 MEN1 (0.44) MEN1KMT2AMCL1DPP4LOX
SCHEMBL11561721 0.79 MEN1 (0.44) MEN1KMT2AMCL1ALDH1A1TDP1
SCHEMBL11801826 0.76 MEN1 (0.46) MEN1KMT2AMCL1DPP4
SCHEMBL1341469 0.73 MEN1 (0.38) MEN1KMT2AMCL1LOXLOXL3
SCHEMBL4353330 0.72
SCHEMBL4016071 0.71 MEN1 (0.45) MEN1KMT2AMCL1DPP4ALDH1A1
SCHEMBL8961056 0.71 GGT1 (0.50) MEN1KMT2AMCL1DPP4SLC1A2
SCHEMBL11050727 0.70 LMNA (0.32) KMT2A
SCHEMBL4008032 0.70 LMNA (0.46) KMT2AALDH1A1TDP1
SCHEMBL9086970 0.70 MEN1 (0.44) MEN1KMT2AMCL1ALDH1A1TDP1

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
CN-105018001-B Water adhesive for lithium ion battery and positive/negative plate and coating barrier film 成都中科来方能源科技有限公司 2016-08-31 CN claimed
CN-105018001-A Aqueous binder used for lithium ion batteries, positive and negative electrode plates and coating membrane CHENGDU ZHONGKE LAIFANG ENERGY TECHNOLOGY CO LTD 2015-11-04 CN claimed
CN-105018001-B Water adhesive for lithium ion battery and positive/negative plate and coating barrier film 成都中科来方能源科技有限公司 2016-08-31 CN disclosed
CN-105018001-A Aqueous binder used for lithium ion batteries, positive and negative electrode plates and coating membrane CHENGDU ZHONGKE LAIFANG ENERGY TECHNOLOGY CO LTD 2015-11-04 CN disclosed