SCHEMBL30984124

SCHEMBL30984124

CCc1c(N2CCN(c3nocc3O)CC2)c(=O)n2nc(C3=CCCCO3)nc2n1CC(=O)Nc1ccc(C(F)(F)F)cc1Cl

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ WRN Q14191 1/20 0.57
▸ ACHE P22303 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ ALDH1A1 P00352 6/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.31
▸ LMNA P02545 3/20 0.31
▸ CNR2 P34972 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ TSHR P16473 4/20 0.31
▸ MAPT P10636 2/20 0.31
▸ SMN1; SMN2 Q16637 2/20 0.31
▸ HTT P42858 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.30
▸ USP2 O75604 1/20 0.30
▸ CYP1A2 P05177 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30

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
SCHEMBL30038855 0.89 WRN (0.57) WRNACHEPOLBL3MBTL1ALDH1A1
SCHEMBL25037173 0.89 WRN (0.57) WRNACHEPOLBL3MBTL1ALDH1A1
SCHEMBL30984258 0.87 WRN (0.73) WRNACHEPOLBL3MBTL1ALDH1A1
SCHEMBL25037162 0.87 WRN (0.58) WRNACHEPOLBL3MBTL1ALDH1A1
SCHEMBL25035041 0.86 WRN (0.63) WRNACHEPOLBL3MBTL1ALDH1A1
SCHEMBL30039192 0.86 WRN (0.63) WRNACHEPOLBL3MBTL1ALDH1A1
SCHEMBL27377823 0.85 WRN (0.66) WRNACHEPOLBL3MBTL1ALDH1A1
SCHEMBL30037479 0.84 WRN (0.55) WRNACHEPOLBL3MBTL1ALDH1A1
SCHEMBL30984226 0.83 WRN (0.58) WRNACHEPOLBL3MBTL1ALDH1A1
SCHEMBL25035209 0.83 WRN (0.51) WRNPOLBL3MBTL1ALDH1A1NPSR1

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-2024153155-A1 DOUBLE-HETEROCYCLIC WRN INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF 成都微芯药业有限公司 2024-07-25 — — WO disclosed
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