SCHEMBL28613694

SCHEMBL28613694

CC(=O)n1cc(C(=O)NC2CCN(C(=O)OC(C)(C)C)C2)c2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ USP30 Q70CQ3 10/20 0.55
▸ PARP1 P09874 1/20 0.49
▸ CREBBP Q92793 2/20 0.47
▸ POLB P06746 1/20 0.46
▸ HDAC4 P56524 1/20 0.45
▸ HDAC6 Q9UBN7 1/20 0.45
▸ DGAT2 Q96PD7 2/20 0.45
▸ MAPK8 P45983 1/20 0.44

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
SCHEMBL28619694 0.92 CREBBP (0.51) USP30CREBBPPOLB
SCHEMBL28810229 0.81 USP30 (0.61) USP30PARP1HDAC4HDAC6
SCHEMBL994594 0.78 USP30 (0.71) USP30PARP1HDAC4HDAC6
SCHEMBL4924196 0.78 USP30 (0.71) USP30PARP1HDAC4HDAC6
SCHEMBL4921150 0.78 USP30 (0.71) USP30PARP1HDAC4HDAC6
SCHEMBL22131008 0.75 USP30 (0.77) USP30PARP1HDAC4HDAC6
SCHEMBL23533928 0.74 USP30 (0.54) USP30PARP1POLB
SCHEMBL22083665 0.74 USP30 (0.64) USP30PARP1POLBHDAC4HDAC6
SCHEMBL18116012 0.74 USP30 (0.74) USP30HDAC4HDAC6
SCHEMBL23651222 0.74 USP30 (0.63) USP30PARP1HDAC4HDAC6DGAT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113321640-B Indole compound and application thereof 中国科学院广州生物医药与健康研究院 2023-06-09 — — CN disclosed
CN-109111427-B Indole compound and application thereof 中国科学院广州生物医药与健康研究院 2023-06-02 — — CN disclosed
CN-113321640-A Indole compound and application thereof 中国科学院广州生物医药与健康研究院 2021-08-31 — — CN disclosed
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