SCHEMBL23599225

SCHEMBL23599225

CNc1nc(Cl)nc(NCc2ccc(S(N)(=O)=O)cc2)c1C=N

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 18/20 0.59
▸ CA2 P00918 18/20 0.59
▸ CA9 Q16790 16/20 0.59
▸ CA12 O43570 4/20 0.59
▸ CA14 Q9ULX7 4/20 0.59
▸ CA7 P43166 4/20 0.56
▸ CA13 Q8N1Q1 4/20 0.56
▸ CA4 P22748 1/20 0.50
▸ CA6 P23280 1/20 0.50
▸ CA5A P35218 1/20 0.50
▸ CA5B Q9Y2D0 1/20 0.50
▸ GAA P10253 1/20 0.47
▸ RXFP1 Q9HBX9 1/20 0.47

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
SCHEMBL23599339 0.91 CA1 (0.59) CA1CA2CA9CA12CA14
SCHEMBL23598986 0.89 CA1 (0.58) CA1CA2CA9CA12CA14
SCHEMBL23599215 0.86 CA1 (0.62) CA1CA2CA9CA12CA14
SCHEMBL23598976 0.86 CA1 (0.67) CA1CA2CA9CA12CA14
SCHEMBL23599176 0.86 CA1 (0.69) CA1CA2CA9CA12CA14
SCHEMBL23599229 0.85 CA2 (0.55) CA1CA2CA9CA12CA14
SCHEMBL23598869 0.85 CA2 (0.55) CA1CA2CA9CA12CA14
SCHEMBL23598950 0.84 CA1 (0.64) CA1CA2CA9CA12CA14
SCHEMBL23598984 0.84 CA1 (0.55) CA1CA2CA9CA12CA14
SCHEMBL23599060 0.84 CA1 (0.54) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021133915-A1 ECTONUCLEOTIDE PYROPHOSPHATASE/PHOSPHODIESTERASE 1 (ENPP1) MODULATORS AND USES THEREOF Sanford Burnham Prebys Medical Discovery Institute (US) 2021-07-01 — — WO disclosed
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