SCHEMBL31490560

SCHEMBL31490560

C=Cc1cc(C=C)nc(SCCNC(=O)OC(C)(C)C)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 4/20 0.42
▸ STK17B O94768 1/20 0.40
▸ STK17A Q9UEE5 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.38
▸ HTT P42858 3/20 0.38
▸ TDP1 Q9NUW8 2/20 0.38
▸ MEN1 O00255 4/20 0.37
▸ KMT2A Q03164 4/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ HPGD P15428 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ BCHE P06276 1/20 0.37
▸ NQO2 P16083 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ LMNA P02545 2/20 0.36
▸ TSHR P16473 2/20 0.36
▸ MALT1 Q9UDY8 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ MAPT P10636 1/20 0.36

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
SCHEMBL31490511 0.83 IDO1 (0.40) IDO1STK17BSTK17AALDH1A1HTT
SCHEMBL31490568 0.82 IDO1 (0.48) IDO1STK17BSTK17AALDH1A1HTT
SCHEMBL17564551 0.78 STK17B (0.46) IDO1STK17BSTK17AALDH1A1HTT
SCHEMBL10258684 0.73 NPSR1 (0.42) IDO1STK17BSTK17AALDH1A1HTT
SCHEMBL6760159 0.72 STK17B (0.47) IDO1STK17BSTK17AALDH1A1HTT
SCHEMBL17424002 0.72 SMN1; SMN2 (0.39) IDO1STK17BSTK17AALDH1A1HTT
SCHEMBL7096764 0.72 IDO1 (0.44) IDO1STK17BSTK17AALDH1A1HTT
SCHEMBL2855369 0.72 KMT2A (0.53) IDO1STK17BSTK17AALDH1A1HTT
SCHEMBL7083158 0.71 IDO1 (0.43) IDO1STK17BSTK17AALDH1A1HTT
SCHEMBL31490565 0.71 STK17B (0.51) IDO1STK17BSTK17AALDH1A1HTT

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-2025082283-A1 LIGAND COMPOUND OF CYCLOPEPTIDE STRUCTURE, NUCLIDE MARKER THEREOF, PHARMACEUTICAL COMPOSITION, AND USE 四川科伦博泰生物医药股份有限公司 2025-04-24 — — WO disclosed
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