SCHEMBL13599481

SCHEMBL13599481

NC(=O)Nc1cc(Nc2nc(F)nc(Nc3cccc(S(=O)(=O)CCOS(=O)(=O)O)c3)n2)ccc1N=Nc1cc2c(S(=O)(=O)O)cc(SOOO)cc2cc1S(=O)(=O)O

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.31
▸ THRB P10828 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ PTPN11 Q06124 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
SCHEMBL13599474 0.94 CA12 (0.30) —
SCHEMBL13604238 0.94 CA12 (0.30) —
SCHEMBL13599477 0.94 CHAT (0.36) MEN1THRBKMT2APTPN11
SCHEMBL13340695 0.94 CHAT (0.36) MEN1THRBKMT2APTPN11
SCHEMBL12053417 0.89 CHAT (0.35) —
SCHEMBL13604230 0.88 FUT8 (0.36) —
SCHEMBL13599483 0.88 FUT8 (0.36) —
SCHEMBL13793456 0.88 FUT8 (0.36) —
SCHEMBL13604267 0.85 FUT8 (0.31) —
SCHEMBL13599485 0.84 FUT8 (0.32) PTPN11

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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