SCHEMBL19857084

SCHEMBL19857084

COc1cc(NS(=O)(=O)c2cccs2)c(SC)c(C=CC(=O)N2CNC(=O)C2)c1O

nearest known ligand 0.71

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CNKSR1 Q969H4 13/20 0.71
AKT1 P31749 4/20 0.71
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
BCL2A1 Q16548 1/20 0.37
MAPT P10636 1/20 0.37
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 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
SCHEMBL15811562 1.00 CNKSR1 (0.71) CNKSR1AKT1ALDH1A1SMN1; SMN2BCL2A1
SCHEMBL15811527 0.83 CNKSR1 (1.00) CNKSR1AKT1ALDH1A1SMN1; SMN2BCL2A1
SCHEMBL17211671 0.81 CNKSR1 (0.84) CNKSR1AKT1ALDH1A1SMN1; SMN2BCL2A1
SCHEMBL15811525 0.80 CNKSR1 (1.00) CNKSR1AKT1ALDH1A1SMN1; SMN2BCL2A1
SCHEMBL17213396 0.78 CNKSR1 (0.65) CNKSR1AKT1ALDH1A1SMN1; SMN2BCL2A1
SCHEMBL15811566 0.78 CNKSR1 (0.67) CNKSR1AKT1ALDH1A1SMN1; SMN2BCL2A1
SCHEMBL19857081 0.78 CNKSR1 (0.67) CNKSR1AKT1ALDH1A1SMN1; SMN2BCL2A1
SCHEMBL19857077 0.77 CNKSR1 (0.66) CNKSR1AKT1ALDH1A1SMN1; SMN2BCL2A1
SCHEMBL15811539 0.77 CNKSR1 (0.66) CNKSR1AKT1ALDH1A1SMN1; SMN2BCL2A1
SCHEMBL19867224 0.77 CNKSR1 (0.66) CNKSR1AKT1ALDH1A1SMN1; SMN2

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