SCHEMBL12758902

SCHEMBL12758902

Cc1cc(N)c(OCCCS(=O)(=O)O)cc1N=Nc1nc2ccc(SOOO)cc2s1

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PTPN11 Q06124 1/20 0.32
▸ MAPT P10636 2/20 0.31
▸ TDP1 Q9NUW8 2/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 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
SCHEMBL12832199 0.85 PTPN11 (0.37) PTPN11MAPTTDP1MEN1POLB
SCHEMBL14884317 0.84 ILK (0.38) MAPTTDP1MEN1POLBMAPK1
SCHEMBL14887207 0.84 MAPT (0.46) MAPTTDP1MEN1POLBMAPK1
SCHEMBL6123910 0.83 PTPN11 (0.36) PTPN11
SCHEMBL12758919 0.83 PTPN11 (0.34) PTPN11
SCHEMBL6123828 0.82 PTPN11 (0.37) PTPN11
SCHEMBL13798648 0.82 PTPN11 (0.37) PTPN11MAPTMEN1MAPK1HTT
SCHEMBL6123856 0.81 PTPN11 (0.33) PTPN11
SCHEMBL12191838 0.80 PTPN11 (0.35) PTPN11
SCHEMBL13798646 0.79 PTPN11 (0.31) 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-7901498-B2 Trisazo compound, ink composition, printing method and colored product NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2011-03-08 — — US disclosed
US-20100309246-A1 TRISAZO COMPOUND, INK COMPOSITION, PRINTING METHOD AND COLORED PRODUCT NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2010-12-09 — — US disclosed
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