SCHEMBL10067366

SCHEMBL10067366

CN1CCN(CCS(=O)(=O)CC(O)CS(=O)(=O)CCN2CCN(C)CC2)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 1/20 0.37
KDM4E B2RXH2 1/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA9 Q16790 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
TP53 P04637 1/20 0.32
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
PRMT5 O14744 1/20 0.30
WDR77 Q9BQA1 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
PLK1 P53350 1/20 0.30
HRH3 Q9Y5N1 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
SCHEMBL13485582 0.80 PAOX (0.39) PAOXKDM4ESIGMAR1CA1CA2
SCHEMBL18803169 0.78 PAOX (0.38) PAOXKDM4ESIGMAR1CA1CA2
SCHEMBL3607141 0.74 PAOX (0.42) PAOXKDM4ECA1CA2CA9
SCHEMBL22015448 0.73 ALOX15 (0.41) PAOXCA1CA2CA9TP53
SCHEMBL14157926 0.73 PAOX (0.35) PAOXSIGMAR1CA1CA2CA9
SCHEMBL12015831 0.71 PAOX (0.39) PAOXSIGMAR1CA1CA2CA9
SCHEMBL13588746 0.71 PAOX (0.36) PAOXSIGMAR1CA1CA2CA9
SCHEMBL4564530 0.70 PAOX (0.47) PAOXSIGMAR1ALDH1A1
SCHEMBL17102198 0.70 CA2 (0.40) PAOXSIGMAR1CA1CA2CA9
SCHEMBL17850520 0.70 PAOX (0.38) PAOXSIGMAR1CA1CA2CA9

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
EP-2121771-B2 NOVEL RADIATION CURABLE COMPOSITIONS AGFA GRAPHICS NV (BE) 2016-12-07 EP disclosed
US-8338499-B2 Amine co-initiators for radiation curable compositions AGFA GRAPHICS NV (BE) 2012-12-25 US disclosed
EP-2121771-B1 NOVEL RADIATION CURABLE COMPOSITIONS AGFA GRAPHICS NV (BE) 2012-06-27 EP disclosed
US-20100041784-A1 NOVEL RADIATION CURABLE COMPOSITIONS AGFA GRAPHICS NV (BE) 2010-02-18 US disclosed