SCHEMBL25808401

SCHEMBL25808401

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

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ USP28 Q96RU2 1/20 0.59
▸ KDM1A O60341 2/20 0.41
▸ P2RY12 Q9H244 3/20 0.40
▸ BRD4 O60885 1/20 0.39
▸ KMT2A Q03164 2/20 0.38
▸ MEN1 O00255 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
SCHEMBL25808447 0.93 USP28 (0.59) USP28KDM1AP2RY12BRD4KMT2A
SCHEMBL25809850 0.93 USP28 (0.69) USP28KDM1AP2RY12BRD4KMT2A
SCHEMBL25809920 0.92 USP28 (0.58) USP28KDM1ABRD4KMT2AMEN1
SCHEMBL25808446 0.91 USP28 (0.58) USP28KDM1AP2RY12BRD4KMT2A
SCHEMBL25794117 0.90 USP28 (0.59) USP28KDM1AP2RY12BRD4KMT2A
SCHEMBL25808485 0.90 USP28 (0.56) USP28KDM1AP2RY12BRD4KMT2A
SCHEMBL25813861 0.90 USP28 (0.56) USP28KDM1AP2RY12BRD4KMT2A
SCHEMBL25808402 0.88 USP28 (0.54) USP28KDM1AP2RY12BRD4KMT2A
SCHEMBL25808487 0.87 USP28 (0.57) USP28KDM1AP2RY12BRD4KMT2A
SCHEMBL25795471 0.82 USP28 (0.84) USP28KDM1AP2RY12KMT2AMEN1

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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