SCHEMBL19867308

SCHEMBL19867308

O=C1OCC(O)N1/C=C/c1cc(NS(=O)(=O)c2cccs2)c2c(c1O)OCO2

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNKSR1 Q969H4 11/20 0.65
AKT1 P31749 3/20 0.58
PKM P14618 2/20 0.40
HSD17B10 Q99714 1/20 0.40
PGAM1 P18669 1/20 0.38
BRAF P15056 3/20 0.37
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
CCR2 P41597 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
HKDC1 Q2TB90 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
SCHEMBL15811538 0.83 CNKSR1 (0.70) CNKSR1AKT1PKMHSD17B10PGAM1
SCHEMBL18147993 0.83 CNKSR1 (0.70) CNKSR1AKT1PKMHSD17B10PGAM1
SCHEMBL20798601 0.82 CNKSR1 (0.67) CNKSR1AKT1PKMHSD17B10PGAM1
SCHEMBL18148216 0.82 CNKSR1 (0.67) CNKSR1AKT1PKMHSD17B10PGAM1
SCHEMBL15811533 0.82 CNKSR1 (0.67) CNKSR1AKT1PKMHSD17B10PGAM1
SCHEMBL18148094 0.79 CNKSR1 (0.65) CNKSR1AKT1PKMHSD17B10PGAM1
SCHEMBL18148081 0.79 CNKSR1 (0.65) CNKSR1AKT1PKMHSD17B10PGAM1
SCHEMBL15811543 0.79 CNKSR1 (0.65) CNKSR1AKT1PKMHSD17B10PGAM1
SCHEMBL15811544 0.79 CNKSR1 (0.65) CNKSR1AKT1PKMHSD17B10PGAM1
SCHEMBL15811542 0.79 CNKSR1 (0.65) CNKSR1AKT1PKMHSD17B10PGAM1

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