SCHEMBL19867335

SCHEMBL19867335

CCOC1(/C=C/c2cc(NS(=O)(=O)Cc3cccs3)c3c(c2OC)OCO3)CC1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CNKSR1 Q969H4 11/20 0.43
▸ AKT1 P31749 1/20 0.43
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ DRD2 P14416 1/20 0.31
▸ DRD4 P21917 1/20 0.31
▸ DRD3 P35462 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ CYP1A2 P05177 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ CYP2D6 P10635 1/20 0.30
▸ CYP2C9 P11712 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ POLB P06746 1/20 0.30
▸ TDP1 Q9NUW8 1/20 0.30
▸ HTT P42858 1/20 0.30

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
SCHEMBL19867362 0.76 CNKSR1 (0.47) CNKSR1AKT1MEN1KMT2AL3MBTL1
SCHEMBL15811504 0.71 CNKSR1 (0.81) CNKSR1AKT1MEN1KMT2AALDH1A1
SCHEMBL18160902 0.70 CNKSR1 (0.57) CNKSR1AKT1L3MBTL1ALDH1A1POLB
SCHEMBL19867333 0.69 CNKSR1 (0.58) CNKSR1AKT1ALDH1A1
SCHEMBL18160904 0.68 CNKSR1 (0.50) CNKSR1AKT1MEN1KMT2AL3MBTL1
SCHEMBL15811477 0.67 CNKSR1 (0.76) CNKSR1AKT1MEN1KMT2AALDH1A1
SCHEMBL20798600 0.67 CNKSR1 (0.76) CNKSR1AKT1MEN1KMT2AALDH1A1
SCHEMBL17200780 0.67 CNKSR1 (0.76) CNKSR1AKT1MEN1KMT2AALDH1A1
SCHEMBL18160885 0.66 CNKSR1 (0.75) CNKSR1AKT1MEN1KMT2AALDH1A1
SCHEMBL17211718 0.66 CNKSR1 (0.64) CNKSR1AKT1ALDH1A1

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
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