SCHEMBL30965870

SCHEMBL30965870

CCc1c(C2=CCNCCC2)c(=O)n2nc(C3=CCOCC3)nc2n1CC(=O)Nc1ccc(C(F)(F)F)cc1Cl

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ WRN Q14191 1/20 0.62
▸ ACHE P22303 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ ALDH1A1 P00352 3/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ USP2 O75604 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ CNR2 P34972 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ MAPT P10636 2/20 0.30
▸ HTT P42858 1/20 0.30
▸ PIK3CD O00329 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
SCHEMBL31394101 0.87 WRN (0.72) WRNACHEPOLBL3MBTL1ALDH1A1
SCHEMBL30965856 0.86 WRN (0.61) WRNACHEPOLBL3MBTL1ALDH1A1
SCHEMBL30037138 0.86 WRN (0.69) WRNACHEPOLBL3MBTL1ALDH1A1
SCHEMBL31394684 0.86 WRN (0.67) WRNACHEPOLBL3MBTL1ALDH1A1
SCHEMBL25037213 0.86 WRN (0.69) WRNACHEPOLBL3MBTL1ALDH1A1
SCHEMBL30037352 0.86 WRN (0.74) WRNACHEPOLBL3MBTL1ALDH1A1
SCHEMBL25035189 0.86 WRN (0.74) WRNACHEPOLBL3MBTL1ALDH1A1
SCHEMBL31713769 0.86 WRN (0.62) WRNACHEPOLBL3MBTL1ALDH1A1
SCHEMBL31295832 0.85 WRN (0.64) WRNACHEPOLBL3MBTL1ALDH1A1
SCHEMBL31387143 0.85 WRN (0.70) WRNACHEPOLBL3MBTL1ALDH1A1

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-2024120378-A2 TRIAZOLE COMPOUNDS, PREPARATION METHODS AND MEDICINAL USES THEREOF JIANGSU HANSOH PHARMACEUTICAL GROUP CO., LTD. (CN) 2024-06-13 — — WO disclosed
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