SCHEMBL7463373

SCHEMBL7463373

COc1cc(-c2ccccc2S(N)(=O)=O)cc(OC)c1OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA9 Q16790 6/20 0.56
▸ CA12 O43570 4/20 0.56
▸ CA1 P00915 4/20 0.56
▸ CA2 P00918 4/20 0.56
▸ CA13 Q8N1Q1 1/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ MAPT P10636 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ CRHBP P24387 1/20 0.47
▸ CRHR2 Q13324 1/20 0.47
▸ BRD4 O60885 2/20 0.46
▸ FYN P06241 2/20 0.46
▸ CA4 P22748 1/20 0.46
▸ CA7 P43166 1/20 0.46
▸ PTGS1 P23219 2/20 0.45
▸ PTGS2 P35354 2/20 0.45
▸ SCN9A Q15858 1/20 0.44
▸ TUBB4A P04350 1/20 0.43
▸ TUBB P07437 1/20 0.43

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
SCHEMBL8656781 0.94 CA9 (0.54) CA9CA12CA1CA2CA13
SCHEMBL8660458 0.88 PTGS2 (0.51) CA9CA12CA1CA2CA13
SCHEMBL5189522 0.87 CA9 (0.52) CA9CA12CA1CA2CA13
SCHEMBL8657899 0.84 CA9 (0.47) CA9CA12CA1CA2CA13
SCHEMBL6356391 0.84 CA9 (0.50) CA9CA12CA1CA2CA13
SCHEMBL8657255 0.84 CA9 (0.44) CA9CA12CA1CA2CA13
SCHEMBL8661248 0.82 PTGS2 (0.46) CA9CA12CA1CA2MEN1
SCHEMBL6725775 0.82 CA2 (0.75) CA9CA12CA1CA2CA13
SCHEMBL8659436 0.81 PTGS2 (0.51) CA9CA12CA1CA2MEN1
SCHEMBL8663003 0.81 PTGS2 (0.51) CA9CA12CA1CA2MEN1

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
EP-1181269-A1 CELL PROLIFERATION INHIBITORS ABBOTT LABORATORIES (US) 2002-02-27 — — EP disclosed
WO-2000073264-A1 CELL PROLIFERATION INHIBITORS ABBOTT LABORATORIES (US) 2000-12-07 — — WO disclosed
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