SCHEMBL28708554

SCHEMBL28708554

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

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 2/20 0.34
SLC1A2 P43004 1/20 0.32
TSHR P16473 2/20 0.32

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
SCHEMBL28678577 0.78 SLC1A2 (0.42) SLC1A2TSHR
Ethylene SCHEMBL29091063 0.75 SLC1A2 (0.40) SLC1A2TSHR
SCHEMBL5102224 0.75 TSHR (0.37) SLC1A2TSHR
SCHEMBL11125343 0.71 TSHR (0.37) SLC1A2TSHR
SCHEMBL28435183 0.71 KMT2A (0.44) TSHR
SCHEMBL27993318 0.69 SLC1A2 (0.35) MCL1SLC1A2TSHR
SCHEMBL9487367 0.67 SLC1A2 (0.48) SLC1A2TSHR
Cyanoacetamide SCHEMBL7566272 0.67 MCL1 (0.56) MCL1
SCHEMBL8009882 0.67 HIF1A (0.32) SLC1A2
SCHEMBL13916558 0.66 KMT2A (0.43) TSHR

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-112825369-B High-voltage lithium ion battery with excellent high-temperature performance 珠海冠宇电池股份有限公司 2022-03-29 CN disclosed