SCHEMBL31387365

SCHEMBL31387365

[2H]C1([2H])NC([2H])([2H])C([2H])([2H])N(c2c(CC)n(CC(=O)Nc3ccc(C(F)(F)F)cc3Cl)c3nc(Br)nn3c2=O)C1([2H])[2H]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ WRN Q14191 1/20 0.50
▸ ACHE P22303 1/20 0.40
▸ ALDH1A1 P00352 6/20 0.35
▸ TSHR P16473 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ USP2 O75604 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ MAPT P10636 3/20 0.34
▸ KMT2A Q03164 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL31384779 0.90 WRN (0.54) WRNACHEALDH1A1TSHRKDM4E
Hydrochloric Acid SCHEMBL31270598 0.89 WRN (0.53) WRNACHEALDH1A1TSHRKDM4E
SCHEMBL30038222 0.85 WRN (0.70) WRNACHEALDH1A1TSHRKDM4E
SCHEMBL31394007 0.85 WRN (0.52) WRNACHEALDH1A1TSHRKDM4E
SCHEMBL31387271 0.84 WRN (0.67) WRNACHEALDH1A1TSHRKDM4E
SCHEMBL25036809 0.83 WRN (0.55) WRNACHEALDH1A1TSHRKDM4E
SCHEMBL31057730 0.83 WRN (0.55) WRNACHEALDH1A1TSHRKDM4E
SCHEMBL30037511 0.82 WRN (0.48) WRNALDH1A1TSHRKDM4EUSP2
SCHEMBL25036821 0.82 WRN (0.48) WRNALDH1A1TSHRKDM4EUSP2
SCHEMBL31387161 0.82 WRN (0.64) WRNACHEALDH1A1TSHRKDM4E

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