SCHEMBL25812455

SCHEMBL25812455

CCCSc1nc(NCCNC(=O)OC(C)(C)C)c2nnn(Cc3ccc(C(=O)NCCOCCN)cc3)c2n1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ USP28 Q96RU2 1/20 0.56
▸ P2RY12 Q9H244 2/20 0.36
▸ KDM1A O60341 1/20 0.36
▸ BRD4 O60885 2/20 0.35
▸ ADORA3 P0DMS8 2/20 0.35
▸ TSHR P16473 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL25808446 0.87 USP28 (0.58) USP28P2RY12KDM1ABRD4
SCHEMBL25809850 0.85 USP28 (0.69) USP28P2RY12KDM1ABRD4ADORA3
SCHEMBL25808447 0.85 USP28 (0.59) USP28P2RY12KDM1ABRD4
SCHEMBL25808401 0.84 USP28 (0.59) USP28P2RY12KDM1ABRD4
SCHEMBL25809920 0.84 USP28 (0.58) USP28KDM1ABRD4
SCHEMBL25794117 0.83 USP28 (0.59) USP28P2RY12KDM1ABRD4
SCHEMBL25808487 0.83 USP28 (0.57) USP28P2RY12KDM1ABRD4
SCHEMBL25808485 0.82 USP28 (0.56) USP28P2RY12KDM1ABRD4
SCHEMBL25813861 0.82 USP28 (0.56) USP28P2RY12KDM1ABRD4
SCHEMBL25808402 0.81 USP28 (0.54) USP28P2RY12KDM1ABRD4

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
WO-2023122298-A1 PROTEIN STABILIZING COMPOUNDS CONTAINING USP28 AND/OR USP25 TARGETING LIGANDS Stablix, Inc. (US) 2023-06-29 — — WO disclosed
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