SCHEMBL29146017

SCHEMBL29146017

N#CNC1CCC[C@H]1C(=O)Nc1ncc(C2CCCCC2)s1

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CCNE1 P24864 17/20 0.48
▸ CDK2 P24941 17/20 0.48
▸ CDK5 Q00535 17/20 0.48
▸ CDK5R1 Q15078 1/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.43

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
SCHEMBL20883071 1.00 CCNE1 (0.48) CCNE1CDK2CDK5CDK5R1SMN1; SMN2
SCHEMBL20883059 1.00 CCNE1 (0.48) CCNE1CDK2CDK5CDK5R1SMN1; SMN2
SCHEMBL20883092 1.00 CCNE1 (0.48) CCNE1CDK2CDK5CDK5R1SMN1; SMN2
SCHEMBL29146008 1.00 CCNE1 (0.48) CCNE1CDK2CDK5CDK5R1SMN1; SMN2
SCHEMBL20883093 1.00 CCNE1 (0.48) CCNE1CDK2CDK5CDK5R1SMN1; SMN2
SCHEMBL22494617 1.00 CCNE1 (0.48) CCNE1CDK2CDK5CDK5R1SMN1; SMN2
SCHEMBL22494789 0.99 CCNE1 (0.49) CCNE1CDK2CDK5CDK5R1SMN1; SMN2
SCHEMBL22494760 0.99 CCNE1 (0.49) CCNE1CDK2CDK5CDK5R1SMN1; SMN2
SCHEMBL22494721 0.99 CCNE1 (0.49) CCNE1CDK2CDK5CDK5R1SMN1; SMN2
SCHEMBL20877572 0.89 CCNE1 (0.49) CCNE1CDK2CDK5CDK5R1SMN1; SMN2

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-111148743-B Inhibition of ubiquitin-specific peptidase 30 福马治疗有限公司 2023-12-15 — — CN disclosed
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