SCHEMBL31387141

SCHEMBL31387141

CCc1c(N2CCN[C@@H]3CC[C@H]32)c(=O)n2nc(N3CCC(=C(F)F)CC3)nc2n1CC(=O)Nc1ccc(C(F)(F)F)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ WRN Q14191 1/20 0.46
▸ ACHE P22303 1/20 0.34
▸ ALDH1A1 P00352 4/20 0.33
▸ MAPT P10636 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.31
▸ USP2 O75604 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ CCR1 P32246 1/20 0.31
▸ MEN1 O00255 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ RXFP1 Q9HBX9 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
SCHEMBL31387151 0.88 WRN (0.46) WRNACHEALDH1A1MAPTKDM4E
Hydrochloric Acid SCHEMBL31387205 0.87 WRN (0.46) WRNACHEALDH1A1MAPTKDM4E
Hydrochloric Acid SCHEMBL31387212 0.86 WRN (0.51) WRNACHEALDH1A1MAPTKDM4E
SCHEMBL31387199 0.83 WRN (0.60) WRNACHE
SCHEMBL31387232 0.83 WRN (0.60) WRNACHE
SCHEMBL31387295 0.83 WRN (0.60) WRNACHE
SCHEMBL25037132 0.83 WRN (0.64) WRNACHEALDH1A1MAPTKDM4E
SCHEMBL25035294 0.83 WRN (0.64) WRNACHEALDH1A1MAPTKDM4E
SCHEMBL25035293 0.83 WRN (0.64) WRNACHEALDH1A1MAPTKDM4E
SCHEMBL25037119 0.83 WRN (0.64) WRNACHEALDH1A1MAPTKDM4E

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
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