SCHEMBL19867255

SCHEMBL19867255

COc1c(/C=C/C(=O)OC2CC2)cc(N[S+]([O-])C(=O)c2cccs2)c2c1OCO2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNKSR1 Q969H4 10/20 0.41
▸ AKT1 P31749 1/20 0.41
▸ ALDH1A1 P00352 5/20 0.37
▸ MAPT P10636 5/20 0.37
▸ MEN1 O00255 4/20 0.37
▸ KMT2A Q03164 4/20 0.37
▸ HPGD P15428 4/20 0.37
▸ CYP3A4 P08684 4/20 0.37
▸ TP53 P04637 3/20 0.37
▸ MAPK1 P28482 2/20 0.37
▸ HSD17B10 Q99714 2/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ KDM4E B2RXH2 3/20 0.36
▸ PKM P14618 1/20 0.36
▸ CASP7 P55210 2/20 0.35
▸ TDP1 Q9NUW8 2/20 0.35
▸ CASP1 P29466 1/20 0.35
▸ BRCA1 P38398 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ LMNA P02545 2/20 0.34

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
SCHEMBL17211718 0.80 CNKSR1 (0.64) CNKSR1AKT1ALDH1A1TP53SMN1; SMN2
SCHEMBL17211657 0.77 CNKSR1 (0.60) CNKSR1AKT1ALDH1A1TP53SMN1; SMN2
SCHEMBL19867362 0.76 CNKSR1 (0.47) CNKSR1AKT1ALDH1A1MEN1KMT2A
SCHEMBL18160902 0.71 CNKSR1 (0.57) CNKSR1AKT1ALDH1A1HPGDL3MBTL1
SCHEMBL15811504 0.69 CNKSR1 (0.81) CNKSR1AKT1ALDH1A1MAPTMEN1
SCHEMBL18160904 0.69 CNKSR1 (0.50) CNKSR1AKT1ALDH1A1MEN1KMT2A
SCHEMBL17211661 0.67 CNKSR1 (0.63) CNKSR1AKT1ALDH1A1MAPTMEN1
SCHEMBL15811477 0.67 CNKSR1 (0.76) CNKSR1AKT1ALDH1A1MAPTMEN1
SCHEMBL17200780 0.67 CNKSR1 (0.76) CNKSR1AKT1ALDH1A1MAPTMEN1
SCHEMBL19867339 0.66 CNKSR1 (0.60) CNKSR1AKT1ALDH1A1MAPTMEN1

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
Send feedback