SCHEMBL15811555

SCHEMBL15811555

CSc1c(NS(=O)(=O)c2cccs2)cc(O)c(O)c1/C=C/C=O

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNKSR1 Q969H4 5/20 0.76
AKT1 P31749 3/20 0.76
BRAF P15056 4/20 0.47
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
HKDC1 Q2TB90 1/20 0.45
HPGD P15428 1/20 0.44
BCL2 P10415 1/20 0.43
BID P55957 1/20 0.43
BCL2L1 Q07817 1/20 0.43
MCL1 Q07820 1/20 0.43
KEAP1 Q14145 1/20 0.43
NFE2L2 Q16236 1/20 0.43
BCL2A1 Q16548 1/20 0.43
BCL2L2 Q92843 1/20 0.43
PGAM1 P18669 1/20 0.43
TP53 P04637 1/20 0.42
CCR2 P41597 1/20 0.42
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL17213427 0.86 CNKSR1 (0.74) CNKSR1AKT1BRAFMEN1KMT2A
SCHEMBL17211665 0.86 CNKSR1 (0.85) CNKSR1AKT1BRAFMEN1KMT2A
SCHEMBL15811531 0.86 CNKSR1 (1.00) CNKSR1AKT1BRAFMEN1KMT2A
SCHEMBL17200785 0.86 CNKSR1 (1.00) CNKSR1AKT1BRAFMEN1KMT2A
SCHEMBL17211784 0.85 CNKSR1 (0.73) CNKSR1AKT1BRAFMEN1KMT2A
SCHEMBL15811530 0.81 CNKSR1 (1.00) CNKSR1AKT1BRAFMEN1KMT2A
SCHEMBL19867384 0.77 CNKSR1 (0.83) CNKSR1AKT1BRAFHPGDBCL2
SCHEMBL15811527 0.75 CNKSR1 (1.00) CNKSR1AKT1BRAFMEN1KMT2A
SCHEMBL17211671 0.74 CNKSR1 (0.84) CNKSR1AKT1BRAFMEN1KMT2A
SCHEMBL15811525 0.71 CNKSR1 (1.00) CNKSR1AKT1MEN1KMT2ABCL2

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
WO-2014093988-A2 METHODS AND COMPOSITIONS FOR INHIBITING CNKSR1 PHUSIS THERAPEUTICS, INC. (US) 2014-06-19 WO disclosed