SCHEMBL17632081

SCHEMBL17632081

N#CN(C(=O)C1CCNC1)c1cnc(-c2ccccc2)s1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 4/20 0.38
▸ SLC6A3 Q01959 1/20 0.38
▸ TAAR1 Q96RJ0 1/20 0.38
▸ USP30 Q70CQ3 5/20 0.36
▸ MAPT P10636 4/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ CDK9 P50750 1/20 0.36
▸ CHEK1 O14757 4/20 0.35
▸ HDAC1 Q13547 1/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.34
▸ F10 P00742 1/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ UCHL1 P09936 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
SCHEMBL17632036 0.81 USP30 (0.50) KCNH2USP30CHEK1UCHL1
SCHEMBL17632261 0.79 HPGDS (0.41) KCNH2SLC6A3USP30CDK9CHEK1
SCHEMBL17631943 0.78 USP30 (0.49) USP30CDK9CHEK1F10
SCHEMBL17632326 0.78 USP30 (0.49) USP30CDK9CHEK1F10
SCHEMBL17631936 0.77 USP30 (0.37) KCNH2SLC6A3USP30CDK9CHEK1
SCHEMBL17631923 0.76 UCHL1 (0.50) KCNH2USP30MAPTALDH1A1NPC1
SCHEMBL17632095 0.76 USP30 (0.41) KCNH2USP30CDK9HDAC1HDAC6
SCHEMBL17631671 0.76 USP30 (0.41) KCNH2USP30CDK9HDAC1HDAC6
SCHEMBL17632007 0.76 LIPG (0.41) ALDH1A1SMN1; SMN2
SCHEMBL17632335 0.75 USP30 (0.41) USP30CDK9F10

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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