SCHEMBL14013104

SCHEMBL14013104

Nc1ccc2cc(SOOO)cc(O)c2c1/N=N/c1cc(Nc2nc(NCCSCCO)nc(-[n+]3cccc(C(=O)O)c3)n2)ccc1S(=O)(=O)O

nearest known ligand 0.37

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 1/20 0.37

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
SCHEMBL14013095 0.77 — —
SCHEMBL14013106 0.76 CA12 (0.34) ENPP2
SCHEMBL14013098 0.75 — —
SCHEMBL13344511 0.73 ENPP2 (0.43) ENPP2
SCHEMBL14373605 0.73 ENPP2 (0.43) ENPP2
SCHEMBL14038372 0.72 ENPP2 (0.56) ENPP2
SCHEMBL14269282 0.72 ENPP2 (0.35) ENPP2
SCHEMBL14038464 0.71 ENPP2 (0.40) ENPP2
SCHEMBL14444808 0.69 APEX1 (0.30) —
SCHEMBL14269292 0.69 ENPP2 (0.32) ENPP2

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-20080280053-A1 Reactive Dyes Containing Divalent Sulfur in Non-Reactive Side Chain at Trizine Nucleus DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 2008-11-13 — — US disclosed
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