SCHEMBL19857081

SCHEMBL19857081

COc1cc(NS(=O)(=O)c2cccs2)c(SC)c(C=CN2C(=O)NC(=O)C2=O)c1O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNKSR1 Q969H4 6/20 0.67
AKT1 P31749 4/20 0.67
ALDH1A1 P00352 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
TP53 P04637 1/20 0.39
BRAF P15056 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HPGD P15428 1/20 0.38
BCL2A1 Q16548 2/20 0.38
PGAM1 P18669 1/20 0.37
LMNA P02545 1/20 0.36
PKM P14618 1/20 0.36
BCL2 P10415 1/20 0.36
BID P55957 1/20 0.36
BCL2L1 Q07817 1/20 0.36
MCL1 Q07820 1/20 0.36
KEAP1 Q14145 1/20 0.36
NFE2L2 Q16236 1/20 0.36
BCL2L2 Q92843 1/20 0.36

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
SCHEMBL15811566 1.00 CNKSR1 (0.67) CNKSR1AKT1ALDH1A1SMN1; SMN2TP53
SCHEMBL17213426 0.84 CNKSR1 (0.65) CNKSR1AKT1ALDH1A1SMN1; SMN2TP53
SCHEMBL17213396 0.84 CNKSR1 (0.65) CNKSR1AKT1ALDH1A1SMN1; SMN2TP53
SCHEMBL15811552 0.82 CNKSR1 (0.65) CNKSR1AKT1ALDH1A1SMN1; SMN2TP53
SCHEMBL19857079 0.82 CNKSR1 (0.65) CNKSR1AKT1ALDH1A1SMN1; SMN2TP53
SCHEMBL19857077 0.81 CNKSR1 (0.66) CNKSR1AKT1ALDH1A1SMN1; SMN2TP53
SCHEMBL15811539 0.81 CNKSR1 (0.66) CNKSR1AKT1ALDH1A1SMN1; SMN2TP53
SCHEMBL19867224 0.81 CNKSR1 (0.66) CNKSR1AKT1ALDH1A1SMN1; SMN2TP53
SCHEMBL15811527 0.81 CNKSR1 (1.00) CNKSR1AKT1ALDH1A1SMN1; SMN2BRAF
SCHEMBL19857085 0.80 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