SCHEMBL17631775

SCHEMBL17631775

N#CN(C(=O)C1CCNC1)c1ccc(C2CCCCC2)cn1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.41
▸ GLA P06280 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ HIF1A Q16665 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ ABL1 P00519 2/20 0.35
▸ CDK9 P50750 1/20 0.34

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
SCHEMBL17631951 0.82 SLC6A2 (0.38) —
SCHEMBL17632787 0.82 MEN1 (0.40) KMT2ACDK9
SCHEMBL17631943 0.79 USP30 (0.49) CDK9
SCHEMBL17632002 0.79 CDK9 (0.41) SMN1; SMN2ABL1CDK9
SCHEMBL17632326 0.79 USP30 (0.49) CDK9
SCHEMBL17631859 0.78 USP30 (0.39) ABL1
SCHEMBL17632146 0.78 USP30 (0.41) KMT2ACDK9
SCHEMBL17632600 0.77 CDK9 (0.39) KDM4EHTTSMN1; SMN2CDK9
SCHEMBL17631958 0.77 MKNK1 (0.45) ABL1
SCHEMBL17632076 0.77 USP30 (0.39) ABL1CDK9

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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