SCHEMBL25814415

SCHEMBL25814415

NCCOCCNC(=O)C#Cc1ccc(OCc2ccc(F)c(C(F)(F)F)c2)c(CNCCO)c1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
USP28 Q96RU2 4/20 0.58
USP25 Q9UHP3 3/20 0.58
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
STAT3 P40763 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HTT P42858 2/20 0.35
PPARD Q03181 1/20 0.35
PPARA Q07869 1/20 0.35
PTPN7 P35236 4/20 0.34
DUSP3 P51452 4/20 0.34
SLC6A4 P31645 1/20 0.34
S1PR1 P21453 2/20 0.33
SCD O00767 1/20 0.33
CTSD P07339 1/20 0.33
PDCD1 Q15116 1/20 0.32
CD274 Q9NZQ7 1/20 0.32

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
SCHEMBL25825194 0.82 USP28 (0.67) USP28USP25MEN1KMT2ASMN1; SMN2
SCHEMBL25808859 0.79 USP28 (0.73) USP28USP25MEN1KMT2ASMN1; SMN2
SCHEMBL25794464 0.78 USP28 (0.72) USP28USP25MEN1KMT2ASMN1; SMN2
SCHEMBL25810028 0.76 USP28 (0.75) USP28USP25MEN1KMT2ASMN1; SMN2
SCHEMBL23683179 0.74 USP28 (1.00) USP28USP25MEN1KMT2ASMN1; SMN2
SCHEMBL31464215 0.74 USP28 (1.00) USP28USP25MEN1KMT2ASMN1; SMN2
SCHEMBL29841090 0.74 USP28 (1.00) USP28USP25MEN1KMT2ASMN1; SMN2
SCHEMBL25794463 0.73 USP28 (0.69) USP28USP25MEN1KMT2ASMN1; SMN2
SCHEMBL23683171 0.73 USP28 (0.75) USP28USP25MEN1KMT2ASMN1; SMN2
SCHEMBL25794179 0.73 USP28 (0.74) USP28USP25MEN1KMT2ASMN1; 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
WO-2023122298-A1 PROTEIN STABILIZING COMPOUNDS CONTAINING USP28 AND/OR USP25 TARGETING LIGANDS Stablix, Inc. (US) 2023-06-29 WO disclosed