SCHEMBL27118239

SCHEMBL27118239

COc1cc2c(cc1-c1cncc(C(N)=O)c1)-c1c(c(C(=O)N(C)C(C)(C)C)nn1-c1cc(Cl)cc(Cl)c1)SC2

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 4/20 0.35
▸ PTGS1 P23219 2/20 0.35
▸ PDE7A Q13946 1/20 0.35
▸ PDE3A Q14432 1/20 0.35
▸ PDE10A Q9Y233 1/20 0.35
▸ ALPL P05186 1/20 0.31
▸ POLQ O75417 1/20 0.30
▸ PDE2A O00408 1/20 0.30
▸ CYP11B1 P15538 1/20 0.30
▸ CYP11B2 P19099 1/20 0.30
▸ MKNK1 Q9BUB5 1/20 0.30
▸ MKNK2 Q9HBH9 1/20 0.30

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
SCHEMBL30759559 1.00 PTGS2 (0.35) PTGS2PTGS1PDE7APDE3APDE10A
SCHEMBL27118212 0.88 PDE7A (0.35) PTGS2PTGS1PDE7APDE3APDE10A
SCHEMBL30759534 0.88 PDE7A (0.35) PTGS2PTGS1PDE7APDE3APDE10A
SCHEMBL27119776 0.87 PDE7A (0.36) PDE7APDE3APDE10AALPLCYP11B1
SCHEMBL30759625 0.87 PDE7A (0.36) PDE7APDE3APDE10AALPLCYP11B1
SCHEMBL27118994 0.87 PDE7A (0.35) PDE7APDE3APDE10AALPLPDE2A
SCHEMBL30759608 0.87 PDE7A (0.35) PDE7APDE3APDE10AALPLPDE2A
SCHEMBL30759665 0.85 PTGS2 (0.34) PTGS2PTGS1PDE7APDE3APDE10A
SCHEMBL27124748 0.85 PTGS2 (0.34) PTGS2PTGS1PDE7APDE3APDE10A
SCHEMBL31236988 0.85 PDE7A (0.35) PDE7APDE3APDE10AALPLCYP11B1

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