SCHEMBL28586992

SCHEMBL28586992

N#CN1CCCC1n1cnc(-c2cccc(-c3cccnc3)c2)c1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ USP30 Q70CQ3 15/20 0.53
▸ UCHL1 P09936 2/20 0.43
▸ NAAA Q02083 1/20 0.40
▸ CYP1A2 P05177 1/20 0.39
▸ CYP11B1 P15538 1/20 0.39
▸ CYP11B2 P19099 1/20 0.39
▸ CYP2E1 P05181 2/20 0.39
▸ CYP2A6 P11509 2/20 0.39
▸ CYP2C9 P11712 2/20 0.39
▸ CYP2B6 P20813 2/20 0.39
▸ CYP2C19 P33261 2/20 0.39
▸ CYP3A4 P08684 1/20 0.38

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
SCHEMBL28586426 0.90 USP30 (0.53) USP30
SCHEMBL28603773 0.88 USP30 (0.50) USP30UCHL1
SCHEMBL28586850 0.88 USP30 (0.56) USP30
SCHEMBL28604258 0.87 USP30 (0.55) USP30
SCHEMBL28608678 0.84 USP30 (0.56) USP30
SCHEMBL28594572 0.84 USP30 (0.59) USP30UCHL1NAAA
SCHEMBL28582103 0.82 USP30 (0.55) USP30
SCHEMBL28594554 0.82 USP30 (0.58) USP30UCHL1
SCHEMBL28592396 0.81 DRD2 (0.45) USP30UCHL1NAAA
SCHEMBL28592627 0.81 USP30 (0.48) USP30UCHL1

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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