SCHEMBL24928681

SCHEMBL24928681

O=C(O)c1ccc(C2CC2)c(SNc2cc(-c3ccns3)ccc2OC2CCCC2)c1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 7/20 0.39
PDE4B Q07343 7/20 0.39
PDE4C Q08493 7/20 0.39
PDE4D Q08499 7/20 0.39
SYK P43405 2/20 0.34
KMO O15229 5/20 0.34
PDE5A O76074 2/20 0.32
FFAR4 Q5NUL3 1/20 0.32
KDM4C Q9H3R0 1/20 0.32
IKBKE Q14164 1/20 0.31
TBK1 Q9UHD2 1/20 0.31

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
SCHEMBL24929582 0.84 KMO (0.33) PDE4APDE4BPDE4CPDE4DKMO
SCHEMBL24928649 0.84 ACLY (0.41) PDE4APDE4BPDE4CPDE4D
SCHEMBL30153363 0.84 ACLY (0.41) PDE4APDE4BPDE4CPDE4D
SCHEMBL22647963 0.82 CREBBP (0.34) KDM4C
SCHEMBL23384085 0.82 HDAC2 (0.32)
SCHEMBL24928945 0.79
SCHEMBL30153223 0.77 ACLY (0.38) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL30845556 0.77 ACLY (0.38) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL24928646 0.70 ACLY (0.45) FFAR4
SCHEMBL22648202 0.70 RORC (0.34)

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-2023007188-A1 PHENYL-SULFAMOYL-BENZOIC ACID DERIVATIVES AS ERAP1- MODULATORS Grey Wolf Therapeutics Limited (GB) 2023-02-02 WO disclosed