SCHEMBL19857079

SCHEMBL19857079

COc1cc(NS(=O)(=O)c2cccs2)c(SC)c(C=Cn2c(=O)[nH]oc2=O)c1O

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNKSR1 Q969H4 9/20 0.65
AKT1 P31749 4/20 0.65
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
TP53 P04637 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
BRAF P15056 1/20 0.37
HPGD P15428 1/20 0.37
BCL2A1 Q16548 1/20 0.37
PGAM1 P18669 1/20 0.36
MAPT P10636 1/20 0.35

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
SCHEMBL15811552 1.00 CNKSR1 (0.65) CNKSR1AKT1ALDH1A1SMN1; SMN2TP53
SCHEMBL15811566 0.82 CNKSR1 (0.67) CNKSR1AKT1ALDH1A1SMN1; SMN2TP53
SCHEMBL19857081 0.82 CNKSR1 (0.67) CNKSR1AKT1ALDH1A1SMN1; SMN2TP53
SCHEMBL19867224 0.81 CNKSR1 (0.66) CNKSR1AKT1ALDH1A1SMN1; SMN2TP53
SCHEMBL17213426 0.81 CNKSR1 (0.65) CNKSR1AKT1ALDH1A1SMN1; SMN2TP53
SCHEMBL19867321 0.80 CNKSR1 (0.64) CNKSR1AKT1ALDH1A1SMN1; SMN2TP53
SCHEMBL19857077 0.80 CNKSR1 (0.66) CNKSR1AKT1ALDH1A1SMN1; SMN2TP53
SCHEMBL15811539 0.80 CNKSR1 (0.66) CNKSR1AKT1ALDH1A1SMN1; SMN2TP53
SCHEMBL15811527 0.79 CNKSR1 (1.00) CNKSR1AKT1ALDH1A1SMN1; SMN2MEN1
SCHEMBL19857085 0.79 CNKSR1 (0.65) CNKSR1AKT1ALDH1A1SMN1; SMN2TP53

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