SCHEMBL28083345

SCHEMBL28083345

N#CC(C#N)COCCCCO

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
THRB P10828 1/20 0.34
HTT P42858 1/20 0.34
MAPT P10636 1/20 0.34
USP2 O75604 1/20 0.34
TSHR P16473 2/20 0.33
GAA P10253 1/20 0.32
MAPK1 P28482 1/20 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
SCHEMBL21045048 0.86 TSHR (0.45) MEN1KMT2ATHRBHTTMAPT
SCHEMBL6859095 0.82 MEN1 (0.52) MEN1KMT2ATHRBHTTMAPT
Water SCHEMBL28880860 0.73 TSHR (0.62) MEN1KMT2ATHRBHTTMAPT
SCHEMBL7039542 0.72 USP2 (0.34) MEN1KMT2ATHRBHTTMAPT
SCHEMBL25030602 0.71 GAA (0.41) MEN1KMT2ATHRBHTTMAPT
SCHEMBL24855300 0.71 USP2 (0.53) MEN1KMT2ATHRBHTTMAPT
SCHEMBL7576909 0.70 TSHR (0.67) MEN1KMT2ATHRBHTTMAPT
SCHEMBL237717 0.70
Di(Hydroxyethyl)Ether SCHEMBL3058961 0.70 TSHR (0.67) MEN1KMT2ATHRBHTTMAPT
SCHEMBL8080204 0.70 USP2 (0.38) MEN1KMT2ATHRBHTTMAPT

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-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