SCHEMBL19954964

SCHEMBL19954964

O=C(O)c1cc(NC(=S)I)ccc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12

nearest known ligand 0.72

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CA9 Q16790 17/20 0.72
▸ CA1 P00915 16/20 0.72
▸ CA2 P00918 16/20 0.72
▸ CA12 O43570 7/20 0.69
▸ USP2 O75604 2/20 0.67
▸ L3MBTL1 Q9Y468 1/20 0.67
▸ CA14 Q9ULX7 3/20 0.65
▸ CA7 P43166 2/20 0.63
▸ DNASE1L3 Q13609 1/20 0.57
▸ PRMT1 Q99873 1/20 0.57
▸ MEN1 O00255 1/20 0.56
▸ ALPL P05186 1/20 0.56
▸ POLB P06746 1/20 0.56
▸ ALPI P09923 1/20 0.56
▸ ALPG P10696 1/20 0.56
▸ KMT2A Q03164 1/20 0.56

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
SCHEMBL15828111 0.92 CA9 (0.83) CA9CA1CA2CA12USP2
SCHEMBL12231957 0.90 CA9 (0.72) CA9CA1CA2CA12USP2
SCHEMBL2234764 0.90 CA9 (0.83) CA9CA1CA2CA12USP2
SCHEMBL12060447 0.90 CA9 (0.75) CA9CA1CA2CA12USP2
SCHEMBL13097493 0.89 CA9 (0.75) CA9CA1CA2CA12USP2
SCHEMBL29699213 0.89 CA9 (0.78) CA9CA1CA2CA12USP2
SCHEMBL412012 0.89 CA9 (0.78) CA9CA1CA2CA12USP2
SCHEMBL13971293 0.88 USP2 (0.72) CA9CA1CA2CA12USP2
SCHEMBL14086339 0.88 CA9 (0.69) CA9CA1CA2CA12USP2
SCHEMBL14073670 0.88 CA9 (0.69) CA9CA1CA2CA12USP2

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
US-9914956-B2 Cell-permeable probes for identification and imaging of sialidases ACADEMIA SINICA (TW) 2018-03-13 — — US disclosed
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