SCHEMBL25795475

SCHEMBL25795475

CCCSc1nc(N2CCNCC2)c2nnn(Cc3ccccc3)c2n1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 4/20 0.56
▸ ALDH1A1 P00352 6/20 0.52
▸ NPSR1 Q6W5P4 2/20 0.52
▸ LMNA P02545 2/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ CNR2 P34972 4/20 0.51
▸ HPGD P15428 2/20 0.49
▸ GAA P10253 1/20 0.47
▸ PKM P14618 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ USP28 Q96RU2 1/20 0.47
▸ RECQL P46063 1/20 0.47
▸ MAPK1 P28482 1/20 0.44
▸ HTR6 P50406 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
SCHEMBL25809918 0.80 KDM1A (0.66) KDM1AUSP28
SCHEMBL25794232 0.78 USP28 (0.50) KDM1AALDH1A1NPSR1LMNASMN1; SMN2
SCHEMBL25795474 0.73 USP28 (0.68) KDM1AUSP28
SCHEMBL25795472 0.73 USP28 (0.83) KDM1AUSP28
SCHEMBL25809849 0.71 USP28 (0.69) KDM1AALDH1A1LMNACNR2TSHR
SCHEMBL16554506 0.68 CNR2 (1.00) CNR2
SCHEMBL25794195 0.67 USP28 (0.81) KDM1AALDH1A1LMNAUSP28
SCHEMBL31550412 0.67 ALDH1A1 (0.58) ALDH1A1NPSR1LMNASMN1; SMN2CNR2
SCHEMBL16555115 0.64 CNR2 (1.00) CNR2
SCHEMBL25827780 0.64 USP28 (0.85) KDM1AUSP28

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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