SCHEMBL19867339

SCHEMBL19867339

COCc1c(/C=C/C(=O)OC2CCC2)cc(NS(=O)(=O)c2cccs2)c2c1OCO2

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNKSR1 Q969H4 12/20 0.60
AKT1 P31749 2/20 0.60
SMN1; SMN2 Q16637 2/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
ALDH1A1 P00352 3/20 0.38
MAPT P10636 1/20 0.38
PTGER1 P34995 2/20 0.38
PTGER4 P35408 2/20 0.38
PTGER3 P43115 2/20 0.38
PTGER2 P43116 2/20 0.38
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37
USP2 O75604 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL17211657 0.88 CNKSR1 (0.60) CNKSR1AKT1SMN1; SMN2ALDH1A1PTGER1
SCHEMBL17211653 0.87 CNKSR1 (0.73) CNKSR1AKT1SMN1; SMN2PTGER3
SCHEMBL17211718 0.85 CNKSR1 (0.64) CNKSR1AKT1SMN1; SMN2ALDH1A1PTGER1
SCHEMBL19867362 0.77 CNKSR1 (0.47) CNKSR1AKT1MEN1KMT2AALDH1A1
SCHEMBL17211652 0.76 CNKSR1 (0.85) CNKSR1AKT1MEN1KMT2AALDH1A1
SCHEMBL15811504 0.76 CNKSR1 (0.81) CNKSR1AKT1SMN1; SMN2MEN1KMT2A
SCHEMBL15811518 0.75 CNKSR1 (1.00) CNKSR1AKT1MEN1KMT2AALDH1A1
SCHEMBL17211661 0.74 CNKSR1 (0.63) CNKSR1AKT1SMN1; SMN2MEN1KMT2A
SCHEMBL17200780 0.74 CNKSR1 (0.76) CNKSR1AKT1SMN1; SMN2MEN1KMT2A
SCHEMBL20798600 0.74 CNKSR1 (0.76) CNKSR1AKT1SMN1; SMN2MEN1KMT2A

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