SCHEMBL25794232

SCHEMBL25794232

NCCCCCSc1nc(N2CCNCC2)c2nnn(Cc3ccc(Cl)cc3)c2n1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ USP28 Q96RU2 1/20 0.50
▸ CNR2 P34972 9/20 0.44
▸ HRH4 Q9H3N8 1/20 0.43
▸ ESR1 P03372 1/20 0.40
▸ ESR2 Q92731 1/20 0.40
▸ PDE8B O95263 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.38
▸ LMNA P02545 2/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ MAPK1 P28482 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ GAA P10253 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ KDM1A O60341 1/20 0.35

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
SCHEMBL25795475 0.78 KDM1A (0.56) USP28CNR2ALDH1A1LMNASMN1; SMN2
SCHEMBL25794215 0.74 ESR1 (0.42) HRH4ESR1ESR2LMNA
SCHEMBL25809849 0.67 USP28 (0.69) USP28CNR2HRH4PDE8BALDH1A1
SCHEMBL25794224 0.67 USP28 (1.00) USP28ALDH1A1LMNAKDM1A
SCHEMBL31550410 0.65 HRH4 (0.52) CNR2HRH4PDE8BALDH1A1LMNA
SCHEMBL25794225 0.65 USP28 (0.78) USP28PDE8BALDH1A1LMNASMN1; SMN2
SCHEMBL25794195 0.64 USP28 (0.81) USP28PDE8BALDH1A1LMNAKDM1A
SCHEMBL25808561 0.62 KDM1A (0.55) USP28HRH4PDE8BALDH1A1LMNA
SCHEMBL25794118 0.62 USP28 (0.77) USP28CNR2PDE8BALDH1A1LMNA
SCHEMBL25794260 0.62 USP28 (0.74) USP28PDE8BALDH1A1LMNAKDM1A

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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