SCHEMBL17631936

SCHEMBL17631936

N#CN(C(=O)C1CCNC1)c1ccc(-c2ccccc2)nc1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ USP30 Q70CQ3 4/20 0.37
▸ LDHA P00338 1/20 0.36
▸ CDK9 P50750 1/20 0.36
▸ CHRNB2 P17787 1/20 0.36
▸ CHRNA7 P36544 1/20 0.36
▸ CHRNA4 P43681 1/20 0.36
▸ KDM2B Q8NHM5 1/20 0.35
▸ CHEK1 O14757 2/20 0.35
▸ MLNR O43193 1/20 0.35
▸ JAK1 P23458 1/20 0.34
▸ KCNH2 Q12809 2/20 0.34
▸ SLC6A2 P23975 1/20 0.34
▸ SLC6A4 P31645 1/20 0.34
▸ SLC6A3 Q01959 1/20 0.34
▸ HPGDS O60760 1/20 0.33

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
SCHEMBL17632261 0.87 HPGDS (0.41) USP30CDK9CHEK1KCNH2SLC6A2
SCHEMBL17631874 0.81 USP30 (0.51) USP30CDK9
SCHEMBL17632154 0.80 RAB9A (0.38) CDK9CHRNB2CHRNA4KDM2BCHEK1
SCHEMBL17632245 0.80 RAB9A (0.38) CDK9CHRNB2CHRNA4KDM2BCHEK1
SCHEMBL17632036 0.80 USP30 (0.50) USP30CHEK1KCNH2
SCHEMBL17631943 0.79 USP30 (0.49) USP30CDK9CHEK1HPGDS
SCHEMBL17632326 0.79 USP30 (0.49) USP30CDK9CHEK1HPGDS
SCHEMBL17632437 0.78 USP30 (0.48) USP30CHRNB2CHRNA4
SCHEMBL17632081 0.77 KCNH2 (0.38) USP30CDK9CHEK1KCNH2SLC6A3
SCHEMBL17632195 0.77 CPB1 (0.49) USP30

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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