SCHEMBL19867333

SCHEMBL19867333

CCOC(O)/C=C/c1cc(NS(=O)(=O)c2cccs2)c2c(c1OC)OCO2

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CNKSR1 Q969H4 13/20 0.58
AKT1 P31749 3/20 0.58
SMN1; SMN2 Q16637 1/20 0.42
ALDH1A1 P00352 2/20 0.40
BCL2A1 Q16548 1/20 0.40
PKM P14618 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TP53 P04637 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
SCHEMBL15811504 0.84 CNKSR1 (0.81) CNKSR1AKT1SMN1; SMN2ALDH1A1BCL2A1
SCHEMBL17200780 0.83 CNKSR1 (0.76) CNKSR1AKT1SMN1; SMN2ALDH1A1BCL2A1
SCHEMBL20798600 0.83 CNKSR1 (0.76) CNKSR1AKT1SMN1; SMN2ALDH1A1BCL2A1
SCHEMBL15811477 0.83 CNKSR1 (0.76) CNKSR1AKT1SMN1; SMN2ALDH1A1BCL2A1
SCHEMBL17211718 0.80 CNKSR1 (0.64) CNKSR1AKT1SMN1; SMN2ALDH1A1BCL2A1
SCHEMBL18160892 0.80 CNKSR1 (0.64) CNKSR1AKT1SMN1; SMN2ALDH1A1BCL2A1
SCHEMBL17211661 0.79 CNKSR1 (0.63) CNKSR1AKT1SMN1; SMN2ALDH1A1BCL2A1
SCHEMBL18160885 0.79 CNKSR1 (0.75) CNKSR1AKT1SMN1; SMN2ALDH1A1BCL2A1
SCHEMBL18160896 0.78 CNKSR1 (0.67) CNKSR1AKT1SMN1; SMN2ALDH1A1BCL2A1
SCHEMBL17211657 0.77 CNKSR1 (0.60) CNKSR1AKT1SMN1; SMN2ALDH1A1BCL2A1

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