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Sugi Predict / Compounds / SCHEMBL10052058

SCHEMBL10052058

SCHEMBL10052058

Cc1nn(-c2nc(O)nc(-n3nc(C)c(N=Nc4c(C#N)cnn4-c4cc(SOOO)cc(S(=O)(=O)O)c4)c3N)n2)c(N)c1N=Nc1c(C#N)cnn1-c1cc(SOOO)cc(S(=O)(=O)O)c1

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 2/20 0.31
▸ PTGS2 P35354 2/20 0.31

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
SCHEMBL13762789 0.95 — —
SCHEMBL10139515 0.94 — —
SCHEMBL12998642 0.90 — —
SCHEMBL58834 0.89 PTGS2 (0.34) PTGS1PTGS2
SCHEMBL12552924 0.83 MAPT (0.41) PTGS1PTGS2
SCHEMBL60165 0.83 PTGS1 (0.34) PTGS1PTGS2
SCHEMBL10052068 0.83 — —
SCHEMBL15233467 0.80 PTGS1 (0.33) PTGS1PTGS2
SCHEMBL12998644 0.79 — —
SCHEMBL13762786 0.79 — —

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8114208-B2 Ink jet ink, ink jet recording method, ink cartridge, recording unit and ink jet recording apparatus CANON KABUSHIKI KAISHA (JP) 2012-02-14 — — US disclosed
US-8083341-B2 Thermal ink-jet ink and ink cartridge using the ink CANON KABUSHIKI KAISHA (JP) 2011-12-27 — — US disclosed
US-20090274839-A1 INK JET INK, INK JET RECORDING METHOD, INK CARTRIDGE, RECORDING UNIT AND INK JET RECORDING APPARATUS CANON KABUSHIKI KAISHA (JP) 2009-11-05 — — US disclosed
US-7553358-B2 Ink jet ink, ink jet recording method, ink cartridge, recording unit and ink jet recording apparatus CANON KABUSHIKI KAISHA (JP) 2009-06-30 — — US disclosed
US-20080274285-A1 INK JET INK, INK JET RECORDING METHOD, INK CARTRIDGE, RECORDING UNIT AND INK JET RECORDING APPARATUS CANON KABUSHIKI KAISHA (JP) 2008-11-06 — — US disclosed
US-20080151028-A1 THERMAL INK-JET INK AND INK CARTRIDGE USING THE INK CANON KABUSHIKI KAISHA (JP) 2008-06-26 — — US disclosed