SCHEMBL31387143

SCHEMBL31387143

CCc1c(N2CCNCC2)c(=O)n2nc(C3=CCOCCC3)nc2n1CC(=O)Nc1ccc(C(F)(F)F)cc1Cl

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ WRN Q14191 1/20 0.70
▸ ACHE P22303 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ ALDH1A1 P00352 6/20 0.35
▸ HSD17B10 Q99714 1/20 0.34
▸ TSHR P16473 3/20 0.33
▸ NPSR1 Q6W5P4 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ USP2 O75604 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ TP53 P04637 1/20 0.32
▸ CNR2 P34972 1/20 0.32
▸ LMNA P02545 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 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
SCHEMBL30037352 0.96 WRN (0.74) WRNACHEPOLBL3MBTL1ALDH1A1
SCHEMBL25035189 0.96 WRN (0.74) WRNACHEPOLBL3MBTL1ALDH1A1
SCHEMBL31394101 0.95 WRN (0.72) WRNACHEPOLBL3MBTL1ALDH1A1
Trifluoroacetic Acid SCHEMBL31270618 0.94 WRN (0.73) WRNACHEPOLBL3MBTL1ALDH1A1
SCHEMBL31499884 0.92 WRN (0.61) WRNACHEPOLBL3MBTL1ALDH1A1
SCHEMBL31387170 0.91 WRN (0.67) WRNACHEPOLBL3MBTL1ALDH1A1
SCHEMBL31499697 0.91 WRN (0.60) WRNACHEPOLBL3MBTL1ALDH1A1
SCHEMBL31387154 0.90 WRN (0.60) WRNACHEPOLBL3MBTL1ALDH1A1
SCHEMBL25037361 0.90 WRN (0.67) WRNPOLBL3MBTL1ALDH1A1HSD17B10
SCHEMBL30037532 0.90 WRN (0.67) WRNPOLBL3MBTL1ALDH1A1HSD17B10

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-2024255765-A1 NOVEL COMPOUNDS, COMPOSITIONS COMPRISING THE SAME AND USES THEREOF NUPHASE THERAPEUTICS (HANGZHOU) LIMITED., CO. (CN) 2024-12-19 — — WO disclosed
Send feedback