SCHEMBL19867224

SCHEMBL19867224

COc1cc(NS(=O)(=O)c2cccs2)c(SC)c(/C=C/N2CCOC2=O)c1O

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CNKSR1 Q969H4 14/20 0.66
AKT1 P31749 4/20 0.66
SMN1; SMN2 Q16637 1/20 0.46
ALDH1A1 P00352 1/20 0.42
TP53 P04637 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL15811539 0.87 CNKSR1 (0.66) CNKSR1AKT1SMN1; SMN2ALDH1A1TP53
SCHEMBL19857077 0.87 CNKSR1 (0.66) CNKSR1AKT1SMN1; SMN2ALDH1A1TP53
SCHEMBL17213426 0.86 CNKSR1 (0.65) CNKSR1AKT1SMN1; SMN2ALDH1A1TP53
SCHEMBL19867321 0.85 CNKSR1 (0.64) CNKSR1AKT1SMN1; SMN2ALDH1A1TP53
SCHEMBL17213396 0.81 CNKSR1 (0.65) CNKSR1AKT1SMN1; SMN2ALDH1A1TP53
SCHEMBL15811552 0.81 CNKSR1 (0.65) CNKSR1AKT1SMN1; SMN2ALDH1A1TP53
SCHEMBL19857079 0.81 CNKSR1 (0.65) CNKSR1AKT1SMN1; SMN2ALDH1A1TP53
SCHEMBL19857081 0.81 CNKSR1 (0.67) CNKSR1AKT1SMN1; SMN2ALDH1A1TP53
SCHEMBL15811566 0.81 CNKSR1 (0.67) CNKSR1AKT1SMN1; SMN2ALDH1A1TP53
SCHEMBL15811527 0.80 CNKSR1 (1.00) CNKSR1AKT1SMN1; SMN2ALDH1A1MEN1

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