SCHEMBL13599474

SCHEMBL13599474

NC(=O)Nc1cc(Nc2nc(F)nc(Nc3ccc(S(=O)(=O)CCOS(=O)(=O)O)cc3)n2)ccc1N=Nc1cc2c(S(=O)(=O)O)cc(SOOO)cc2cc1S(=O)(=O)O

nearest known ligand 0.31

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 1/20 0.30
▸ CA1 P00915 1/20 0.30
▸ CA2 P00918 1/20 0.30
▸ CA3 P07451 1/20 0.30
▸ CA4 P22748 1/20 0.30
▸ CA6 P23280 1/20 0.30
▸ CA5A P35218 1/20 0.30
▸ CA7 P43166 1/20 0.30
▸ CA9 Q16790 1/20 0.30
▸ CA14 Q9ULX7 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
SCHEMBL13604238 1.00 CA12 (0.30) CA12CA1CA2CA3CA4
SCHEMBL13599481 0.94 MEN1 (0.31) —
SCHEMBL13604230 0.94 FUT8 (0.36) CA12CA1CA2CA5ACA9
SCHEMBL13599483 0.94 FUT8 (0.36) CA12CA1CA2CA5ACA9
SCHEMBL13793456 0.94 FUT8 (0.36) CA12CA1CA2CA5ACA9
SCHEMBL13599485 0.88 FUT8 (0.32) CA12CA1CA2CA3CA4
SCHEMBL13599477 0.88 CHAT (0.36) CA12CA1CA2CA9
SCHEMBL13340695 0.88 CHAT (0.36) CA12CA1CA2CA9
SCHEMBL13604284 0.88 FUT8 (0.35) CA12CA1CA2CA3CA9
SCHEMBL14071647 0.87 CA12 (0.33) CA12CA1CA2CA5ACA9

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
US-7632316-B2 Reactive dyestuff, method for production thereof and use of the same DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 2009-12-15 — — US disclosed
US-20080189880-A1 Reactive Dyestuff, Method For Production Thereof and Use of the Same DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 2008-08-14 — — US disclosed
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