SCHEMBL27118994

SCHEMBL27118994

COc1cc2c(cc1-c1cncc(C(N)=O)c1)-c1c(c(C(=O)N(C)C(C)(C)C)nn1-c1cc(Cl)cc(Cl)c1)C2

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PDE7A Q13946 1/20 0.35
▸ PDE3A Q14432 1/20 0.35
▸ PDE10A Q9Y233 1/20 0.35
▸ CA12 O43570 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ CA9 Q16790 1/20 0.34
▸ ALPL P05186 1/20 0.33
▸ IKBKB O14920 5/20 0.32
▸ CYP11B1 P15538 1/20 0.31
▸ CYP11B2 P19099 1/20 0.31
▸ MKNK1 Q9BUB5 1/20 0.31
▸ MKNK2 Q9HBH9 1/20 0.31
▸ CCNA2 P20248 2/20 0.30
▸ CDK2 P24941 2/20 0.30
▸ CCNA1 P78396 2/20 0.30
▸ PDE2A O00408 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
SCHEMBL30759608 1.00 PDE7A (0.35) PDE7APDE3APDE10ACA12CA2
SCHEMBL30759625 0.94 PDE7A (0.36) PDE7APDE3APDE10AALPLIKBKB
SCHEMBL27119776 0.94 PDE7A (0.36) PDE7APDE3APDE10AALPLIKBKB
SCHEMBL30759604 0.88 PDE7A (0.35) PDE7APDE3APDE10ACA12CA2
SCHEMBL27119255 0.88 PDE7A (0.35) PDE7APDE3APDE10ACA12CA2
SCHEMBL30759484 0.88 PDE7A (0.35) PDE7APDE3APDE10ACA12CA2
SCHEMBL27118975 0.88 PDE7A (0.35) PDE7APDE3APDE10ACA12CA2
SCHEMBL27120317 0.88 RAD52 (0.34) PDE7APDE3APDE10AALPLIKBKB
SCHEMBL19321678 0.87 NR1H4 (0.35) ALPLCYP11B1CYP11B2MKNK1MKNK2
SCHEMBL30759559 0.87 PTGS2 (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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