SCHEMBL31387161

SCHEMBL31387161

CCc1c(N2CCN(C(=O)c3nccc(Cl)c3O)CC2)c(=O)n2nc(Br)nc2n1CC(=O)Nc1ccc(C(F)(F)F)cc1Cl

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ WRN Q14191 1/20 0.64
▸ ACHE P22303 1/20 0.36
▸ ALDH1A1 P00352 7/20 0.35
▸ TSHR P16473 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ LYPLA1 O75608 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ NPY2R P49146 1/20 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
▸ CYP2C19 P33261 1/20 0.32
▸ TRPV1 Q8NER1 2/20 0.32
▸ ABL1 P00519 1/20 0.32
▸ BCR P11274 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ PKM P14618 1/20 0.32
▸ NPSR1 Q6W5P4 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
SCHEMBL31387200 0.95 WRN (0.59) WRNACHEALDH1A1TSHRMAPT
SCHEMBL31270575 0.91 WRN (0.77) WRNACHEALDH1A1TSHRMAPT
SCHEMBL25037065 0.90 WRN (0.66) WRNACHEALDH1A1TSHRMAPT
SCHEMBL30038797 0.90 WRN (0.66) WRNACHEALDH1A1TSHRMAPT
SCHEMBL31387153 0.87 WRN (0.62) WRNACHEALDH1A1TSHRMAPT
SCHEMBL30038085 0.87 WRN (0.86) WRNACHEALDH1A1TSHRMAPT
SCHEMBL25035046 0.87 WRN (0.86) WRNACHEALDH1A1TSHRMAPT
SCHEMBL31387176 0.86 WRN (0.63) WRNACHEALDH1A1TSHRMAPT
SCHEMBL25037233 0.86 WRN (0.55) WRNALDH1A1TSHRMAPTLYPLA1
SCHEMBL30037565 0.86 WRN (0.55) WRNALDH1A1TSHRMAPTLYPLA1

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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