SCHEMBL30034063

SCHEMBL30034063

Cn1ncc2c(NCc3ccc(S(N)(=O)=O)cc3)cc(C3CC3)nc21

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PSMD14 O00487 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ CA1 P00915 15/20 0.42
▸ CA2 P00918 15/20 0.42
▸ CA9 Q16790 15/20 0.42
▸ CA12 O43570 3/20 0.40
▸ CA14 Q9ULX7 2/20 0.40
▸ PDE2A O00408 1/20 0.40
▸ IKBKE Q14164 1/20 0.40
▸ TBK1 Q9UHD2 1/20 0.40
▸ CCNT1 O60563 1/20 0.39
▸ CDK9 P50750 1/20 0.39

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
SCHEMBL23599082 1.00 PSMD14 (0.47) PSMD14L3MBTL1CA1CA2CA9
SCHEMBL23598884 0.84 CA1 (0.47) CA1CA2CA9CA12CA14
SCHEMBL30035122 0.83 CA1 (0.48) CA1CA2CA9CA12CA14
SCHEMBL23579835 0.83 CA1 (0.48) CA1CA2CA9CA12CA14
SCHEMBL23580338 0.82 CA1 (0.50) CA1CA2CA9CA12CA14
SCHEMBL28855384 0.82 CA1 (0.40) CA1CA2CA9CCNT1CDK9
SCHEMBL23579985 0.82 CA1 (0.43) CA1CA2CA9CA12CA14
SCHEMBL30033327 0.82 CA1 (0.52) CA1CA2CA9CA12CA14
SCHEMBL23580288 0.82 CA1 (0.52) CA1CA2CA9CA12CA14
SCHEMBL23598992 0.80 CA1 (0.53) CA1CA2CA9CA12CA14

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
CN-115151550-B External nucleotide pyrophosphatase/phosphodiesterase 1 (ENPP 1) modulators and uses thereof 桑福德·伯纳姆·普雷比医学发现研究所 2024-11-22 — — CN disclosed
EP-4081528-A1 ECTONUCLEOTIDE PYROPHOSPHATASE/PHOSPHODIESTERASE 1 (ENPP1) MODULATORS AND USES THEREOF Sanford Burnham Prebys Medical Discovery Institute (US) 2022-11-02 — — EP disclosed
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