SCHEMBL28594572

SCHEMBL28594572

COc1ccc(-c2cccc(-c3cn(C4CCCN4C#N)cn3)c2)cn1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ USP30 Q70CQ3 9/20 0.59
▸ NAAA Q02083 1/20 0.45
▸ HSD17B1 P14061 1/20 0.41
▸ HSD17B2 P37059 1/20 0.41
▸ KDR P35968 3/20 0.40
▸ EPHB4 P54760 2/20 0.40
▸ TEK Q02763 2/20 0.40
▸ PIK3CD O00329 3/20 0.38
▸ PIK3CA P42336 2/20 0.38
▸ PIK3CB P42338 2/20 0.38
▸ PIK3CG P48736 2/20 0.38
▸ KCNH2 Q12809 2/20 0.38
▸ OTUD7B Q6GQQ9 2/20 0.37
▸ UCHL1 P09936 1/20 0.37

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
SCHEMBL28594554 0.88 USP30 (0.58) USP30UCHL1
SCHEMBL28586850 0.88 USP30 (0.56) USP30
SCHEMBL28603773 0.84 USP30 (0.50) USP30UCHL1
SCHEMBL28586992 0.84 USP30 (0.53) USP30NAAAUCHL1
SCHEMBL28608678 0.83 USP30 (0.56) USP30
SCHEMBL28586426 0.83 USP30 (0.53) USP30
SCHEMBL28604258 0.81 USP30 (0.55) USP30
SCHEMBL28592400 0.81 USP30 (0.59) USP30NAAAUCHL1
SCHEMBL28917627 0.80 USP30 (0.56) USP30KCNH2
SCHEMBL28592396 0.80 DRD2 (0.45) USP30NAAAUCHL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108884068-B 1-cyano-pyrrolidine derivatives as DUB inhibitors 特殊治疗有限公司 2021-02-26 — — CN disclosed
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