SCHEMBL27124690

SCHEMBL27124690

COc1cc(C(N)=O)cc(-c2cc3c(cc2OC)CCc2c(C(=O)N(C)C(C)(C)C)nn(-c4cc(Cl)cc(Cl)c4)c2-3)n1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PDE7A Q13946 1/20 0.36
▸ PDE3A Q14432 1/20 0.36
▸ PDE10A Q9Y233 1/20 0.36
▸ RAD52 P43351 1/20 0.35
▸ IKBKB O14920 13/20 0.33
▸ F10 P00742 2/20 0.32
▸ CCNA2 P20248 3/20 0.31
▸ CDK2 P24941 3/20 0.31
▸ CCNA1 P78396 3/20 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
SCHEMBL30759552 0.93 RAD52 (0.37) PDE7APDE3APDE10ARAD52IKBKB
SCHEMBL27124466 0.93 RAD52 (0.37) PDE7APDE3APDE10ARAD52IKBKB
SCHEMBL27124643 0.88 PDE7A (0.33) PDE7APDE3APDE10A
SCHEMBL30759589 0.88 PDE7A (0.33) PDE7APDE3APDE10A
SCHEMBL30759665 0.88 PTGS2 (0.34) PDE7APDE3APDE10A
SCHEMBL27124748 0.88 PTGS2 (0.34) PDE7APDE3APDE10A
SCHEMBL17382278 0.88 NR1H4 (0.32) —
SCHEMBL30759625 0.85 PDE7A (0.36) PDE7APDE3APDE10ARAD52IKBKB
SCHEMBL27119776 0.85 PDE7A (0.36) PDE7APDE3APDE10ARAD52IKBKB
SCHEMBL30759598 0.84 RAD52 (0.38) PDE7APDE3APDE10ARAD52IKBKB

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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