SCHEMBL19867362

SCHEMBL19867362

COc1c(/C=C/C(=O)OC2CCC2)cc(NS(=O)(=O)Cc2cccs2)c2c1OCO2

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CNKSR1 Q969H4 10/20 0.47
▸ AKT1 P31749 1/20 0.47
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ KDM4E B2RXH2 2/20 0.35
▸ HPGD P15428 1/20 0.35
▸ USP2 O75604 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ HTT P42858 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ TNFRSF1A P19438 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ ATM Q13315 1/20 0.33

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
SCHEMBL17211657 0.87 CNKSR1 (0.60) CNKSR1AKT1ALDH1A1
SCHEMBL17211718 0.84 CNKSR1 (0.64) CNKSR1AKT1ALDH1A1
SCHEMBL19867339 0.77 CNKSR1 (0.60) CNKSR1AKT1USP2GAAALDH1A1
SCHEMBL19867335 0.76 CNKSR1 (0.43) CNKSR1AKT1L3MBTL1ALDH1A1HTT
SCHEMBL17211653 0.76 CNKSR1 (0.73) CNKSR1AKT1
SCHEMBL19867255 0.76 CNKSR1 (0.41) CNKSR1AKT1L3MBTL1KDM4EHPGD
SCHEMBL15811504 0.74 CNKSR1 (0.81) CNKSR1AKT1ALDH1A1MEN1KMT2A
SCHEMBL18160902 0.74 CNKSR1 (0.57) CNKSR1AKT1L3MBTL1KDM4EHPGD
SCHEMBL18160904 0.73 CNKSR1 (0.50) CNKSR1AKT1L3MBTL1KDM4EHPGD
SCHEMBL17211661 0.73 CNKSR1 (0.63) CNKSR1AKT1ALDH1A1MEN1KMT2A

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-2931280-B1 METHODS AND COMPOSITIONS FOR INHIBITING CNKSR1 PHUSIS THERAPEUTICS INC (US) 2018-02-14 — — EP disclosed
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