SCHEMBL22551097

SCHEMBL22551097

N#CC(=O)c1ccccc1C#N

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPIA P62937 1/20 0.43
POLB P06746 2/20 0.42
LMNA P02545 3/20 0.41
TSHR P16473 1/20 0.41
GAA P10253 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 2/20 0.40
HSD11B1 P28845 1/20 0.39
MAPT P10636 3/20 0.39
KAT6A Q92794 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
ESR2 Q92731 1/20 0.38
MEN1 O00255 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
ALOX15 P16050 1/20 0.37

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
SCHEMBL8517295 0.84 ALDH1A1 (0.46) POLBLMNATSHRKDM4EALDH1A1
SCHEMBL2913776 0.82 ALDH1A1 (0.45) PPIAPOLBLMNATSHRGAA
SCHEMBL31000747 0.82 PPIA (0.45) PPIAPOLBLMNATSHRGAA
SCHEMBL6276445 0.82 PPIA (0.45) PPIAPOLBLMNATSHRGAA
SCHEMBL2164376 0.80 PPIA (0.44) PPIAPOLBLMNATSHRGAA
SCHEMBL29365220 0.80 ALDH1A1 (0.56) PPIAPOLBLMNATSHRGAA
SCHEMBL180853 0.80 ALDH1A1 (0.56) PPIAPOLBLMNATSHRGAA
SCHEMBL23026097 0.78 PPIA (0.43) PPIAPOLBLMNATSHRGAA
SCHEMBL6808202 0.78 PPIA (0.43) PPIAPOLBLMNATSHRGAA
SCHEMBL1340299 0.78 ALDH1A1 (0.48) PPIAPOLBLMNATSHRGAA

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
EP-3549972-B1 POLYMERIZABLE COMPOSITION LG CHEMICAL LTD (KR) 2020-10-21 EP disclosed