SCHEMBL17632023

SCHEMBL17632023

Cc1noc(C)c1-c1ccc2sc(N(C#N)C(=O)C3CCNC3)nc2c1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ USP30 Q70CQ3 2/20 0.42
▸ BRD4 O60885 15/20 0.40
▸ BRD2 P25440 5/20 0.38
▸ BRD3 Q15059 4/20 0.38
▸ CREBBP Q92793 2/20 0.37
▸ USP2 O75604 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ HIF1A Q16665 1/20 0.36
▸ CLK4 Q9HAZ1 1/20 0.36
▸ UCHL1 P09936 1/20 0.35

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
SCHEMBL17632567 0.93 BRD4 (0.47) USP30BRD4BRD2BRD3CREBBP
SCHEMBL17632188 0.85 CYP1A2 (0.38) USP30BRD4USP2ALDH1A1LMNA
SCHEMBL17632015 0.85 USP30 (0.38) USP30BRD4BRD2BRD3CREBBP
SCHEMBL17631968 0.84 USP30 (0.36) USP30BRD4BRD2BRD3CREBBP
SCHEMBL17631794 0.82 USP30 (0.35) USP30BRD4BRD2BRD3USP2
SCHEMBL17632621 0.80 ALDH1A1 (0.47) USP30ALDH1A1LMNACYP1A2CYP2C19
SCHEMBL17632035 0.80 ABL1 (0.45) —
SCHEMBL17631887 0.79 USP30 (0.44) USP30BRD4UCHL1
SCHEMBL17632490 0.79 MAPT (0.43) ALDH1A1LMNA
SCHEMBL30718495 0.78 ABL1 (0.45) BRD4BRD2BRD3USP2ALDH1A1

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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