SCHEMBL19867226

SCHEMBL19867226

COc1cc(N[S+]([O-])c2cccs2)c(SC)c(/C=C/N2C(=O)COC2=O)c1O

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CNKSR1 Q969H4 5/20 0.44
AKT1 P31749 3/20 0.44
ALOX5 P09917 2/20 0.31
PTGS1 P23219 2/20 0.31
PTGS2 P35354 2/20 0.31

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
SCHEMBL17213426 0.83 CNKSR1 (0.65) CNKSR1AKT1
SCHEMBL19867310 0.74 ALOX5 (0.33) CNKSR1AKT1ALOX5PTGS1PTGS2
SCHEMBL19867224 0.69 CNKSR1 (0.66) CNKSR1AKT1
SCHEMBL17213396 0.69 CNKSR1 (0.65) CNKSR1AKT1
SCHEMBL19867321 0.68 CNKSR1 (0.64) CNKSR1AKT1
SCHEMBL19857081 0.67 CNKSR1 (0.67) CNKSR1AKT1
SCHEMBL15811566 0.67 CNKSR1 (0.67) CNKSR1AKT1
SCHEMBL19857077 0.66 CNKSR1 (0.66) CNKSR1AKT1
SCHEMBL15811539 0.66 CNKSR1 (0.66) CNKSR1AKT1
SCHEMBL15811552 0.64 CNKSR1 (0.65) CNKSR1AKT1

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