SCHEMBL17632186

SCHEMBL17632186

N#CN(C(=O)[C@H]1CCNC1)c1ncc(-c2ccc(S(N)(=O)=O)cc2)s1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ USP30 Q70CQ3 4/20 0.40
▸ CA12 O43570 4/20 0.38
▸ CA1 P00915 4/20 0.38
▸ CA2 P00918 4/20 0.38
▸ CA4 P22748 3/20 0.38
▸ UCHL1 P09936 3/20 0.36
▸ CHEK1 O14757 4/20 0.35
▸ CDK9 P50750 1/20 0.35
▸ IKBKB O14920 4/20 0.33
▸ CHUK O15111 4/20 0.33
▸ AKT1 P31749 1/20 0.33
▸ ROCK1 Q13464 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ CDK2AP1 O14519 1/20 0.32
▸ WNT1 P04628 1/20 0.32
▸ GSK3B P49841 1/20 0.32
▸ DYRK1A Q13627 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
SCHEMBL17631830 0.88 USP30 (0.40) USP30UCHL1CHEK1CDK2AP1WNT1
SCHEMBL17632491 0.87 CHEK1 (0.42) USP30UCHL1CHEK1CDK2AP1WNT1
SCHEMBL17632487 0.87 USP30 (0.41) USP30UCHL1CHEK1CDK2AP1WNT1
SCHEMBL17632016 0.86 USP30 (0.40) USP30UCHL1CHEK1CDK2AP1WNT1
SCHEMBL17632036 0.86 USP30 (0.50) USP30UCHL1CHEK1
SCHEMBL17632604 0.85 UCHL1 (0.43) USP30UCHL1CHEK1CDK2AP1WNT1
SCHEMBL17632047 0.85 USP30 (0.41) USP30UCHL1CHEK1AKT1CDK2AP1
SCHEMBL17631715 0.84 CHEK1 (0.42) USP30UCHL1CHEK1CDK9WNT1
SCHEMBL17632265 0.84 USP30 (0.42) USP30UCHL1CHEK1
SCHEMBL17632415 0.84 CHEK1 (0.41) USP30UCHL1CHEK1CDK2AP1WNT1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3197883-A1 NOVEL COMPOUNDS Mission Therapeutics Limited (GB) 2017-08-02 — — EP claimed
WO-2016046530-A1 NOVEL COMPOUNDS MISSION THERAPEUTICS LTD (GB) 2016-03-31 — — WO claimed
EP-3197883-A1 NOVEL COMPOUNDS Mission Therapeutics Limited (GB) 2017-08-02 — — EP disclosed
WO-2016046530-A1 NOVEL COMPOUNDS MISSION THERAPEUTICS LTD (GB) 2016-03-31 — — WO disclosed
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