SCHEMBL19867310

SCHEMBL19867310

CNc1c(N[S+]([O-])c2cccs2)cc(OC)c(O)c1/C=C/N1C(=O)CN(C)C1=O

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.33
PTGS1 P23219 3/20 0.33
PTGS2 P35354 3/20 0.33
CNKSR1 Q969H4 2/20 0.33
AKT1 P31749 1/20 0.33
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL19867226 0.74 CNKSR1 (0.44) ALOX5PTGS1PTGS2CNKSR1AKT1
SCHEMBL17213396 0.73 CNKSR1 (0.65) CNKSR1AKT1ALDH1A1
SCHEMBL15811489 0.59 CNKSR1 (0.64) CNKSR1AKT1
SCHEMBL18148011 0.59 CNKSR1 (0.64) CNKSR1AKT1
SCHEMBL17213426 0.58 CNKSR1 (0.65) CNKSR1AKT1ALDH1A1
SCHEMBL17211781 0.56 CNKSR1 (0.42) CNKSR1AKT1ALDH1A1MAPT
SCHEMBL19857081 0.56 CNKSR1 (0.67) CNKSR1AKT1ALDH1A1
SCHEMBL19415737 0.54 USP2 (0.38) ALDH1A1MAPT
SCHEMBL11638313 0.52 MAPT (0.55) ALDH1A1MAPT
SCHEMBL9072998 0.52 MAPT (0.32) ALDH1A1MAPT

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