SCHEMBL25033175

SCHEMBL25033175

C#CCNc1ccc(P(=O)(CC)CC)cc1O

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 2/20 0.33
▸ CA1 P00915 2/20 0.33
▸ CA2 P00918 2/20 0.33
▸ CA9 Q16790 2/20 0.33
▸ MAOA P21397 3/20 0.31
▸ MAOB P27338 2/20 0.31
▸ CA14 Q9ULX7 1/20 0.31
▸ MAPT P10636 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
SCHEMBL30184460 1.00 CA12 (0.33) CA12CA1CA2CA9MAOA
SCHEMBL25030907 0.81 LMNA (0.35) MAOAMAPT
SCHEMBL30184470 0.81 LMNA (0.35) MAOAMAPT
SCHEMBL30184621 0.78 — —
SCHEMBL25033173 0.78 — —
SCHEMBL25033178 0.77 — —
SCHEMBL30184507 0.77 — —
SCHEMBL23144024 0.72 CA12 (0.46) CA12CA1CA2CA9CA14
SCHEMBL23144425 0.71 PLK1 (0.41) CA12CA1CA2CA9CA14
SCHEMBL29811759 0.71 PLK1 (0.41) CA12CA1CA2CA9CA14

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-2023016434-A1 COMPOUNDS TARGETING MUTANT OF P53 JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2023-02-16 — — WO disclosed
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