SCHEMBL30780930

SCHEMBL30780930

CNc1ccc(OC2CCC2)c(NC)c1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.42
RORC P51449 1/20 0.39
PDE4A P27815 4/20 0.37
PDE4B Q07343 7/20 0.36
PDE4C Q08493 3/20 0.36
PDE4D Q08499 3/20 0.36
NPY1R P25929 1/20 0.36
NPY2R P49146 1/20 0.36
CSNK2A1 P68400 2/20 0.36
C5AR1 P21730 1/20 0.35
CYP19A1 P11511 1/20 0.35
RECQL P46063 1/20 0.35
PDE5A O76074 1/20 0.34

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
SCHEMBL28628239 0.82 HRH3 (0.42) POLBRORCPDE4APDE4BPDE4C
SCHEMBL28331542 0.79 EIF4E (0.43) POLBPDE4APDE4BPDE4CPDE4D
SCHEMBL12195758 0.79 POLB (0.64) POLBPDE4APDE4BPDE4CPDE4D
SCHEMBL15057752 0.77 MRGPRX1 (0.43) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL13105587 0.76 NPY1R (0.45) POLBRORCPDE4APDE4BPDE4C
SCHEMBL14471667 0.75 RORC (0.66) POLBRORCCSNK2A1
SCHEMBL14471666 0.75 RORC (0.43) POLBRORCPDE4APDE4BPDE4C
SCHEMBL28954258 0.75 RORC (0.37) RORCPDE4D
SCHEMBL29951339 0.74 RORC (0.43) POLBRORCPDE4APDE4BPDE4C
SCHEMBL29953879 0.74 ALDH1A1 (0.42) POLBRORCPDE4B

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-2024030651-A1 GPX4 INHIBITORS AND USE THEREOF SONATA THERAPEUTICS, INC. (US) 2024-02-08 WO disclosed