SCHEMBL27150953

SCHEMBL27150953

COc1cc(C(=O)O)cc(-c2cc3c(cc2OC)CSc2c(C(=O)N(C)C(C)(C)C)nn(-c4cc(Cl)cc(Cl)c4)c2-3)n1

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PDE7A Q13946 1/20 0.35
▸ PDE3A Q14432 1/20 0.35
▸ PDE10A Q9Y233 1/20 0.35
▸ PTGS2 P35354 3/20 0.34
▸ PTGS1 P23219 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
SCHEMBL30759665 0.94 PTGS2 (0.34) PDE7APDE3APDE10APTGS2PTGS1
SCHEMBL27124748 0.94 PTGS2 (0.34) PDE7APDE3APDE10APTGS2PTGS1
SCHEMBL27124747 0.94 PDE7A (0.34) PDE7APDE3APDE10APTGS2PTGS1
SCHEMBL30759546 0.94 PDE7A (0.34) PDE7APDE3APDE10APTGS2PTGS1
SCHEMBL27118272 0.85 PTGS2 (0.38) PDE7APDE3APDE10APTGS2PTGS1
SCHEMBL27118151 0.83 PTGS2 (0.40) PDE7APDE3APDE10APTGS2PTGS1
SCHEMBL30759633 0.83 PTGS2 (0.40) PDE7APDE3APDE10APTGS2PTGS1
SCHEMBL27124690 0.81 PDE7A (0.36) PDE7APDE3APDE10A
SCHEMBL30759552 0.81 RAD52 (0.37) PDE7APDE3APDE10A
SCHEMBL27124466 0.81 RAD52 (0.37) PDE7APDE3APDE10A

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-2024044778-A2 NOVEL MODULATORS OF FSHR AND USES THEREOF CELMATIX INC. (US) 2024-02-29 — — WO disclosed
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