SCHEMBL13856902

SCHEMBL13856902

O=S(=O)(O)CCCOc1cc(N=Nc2cccc(SOOO)c2)ccc1Nc1nc(Nc2ccc(N=Nc3cccc(S(=O)(=O)O)c3)cc2OCCCS(=O)(=O)O)nc(N2CCOCC2)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.37
▸ MAPK1 P28482 1/20 0.34
▸ CA12 O43570 5/20 0.34
▸ CA1 P00915 5/20 0.34
▸ CA2 P00918 5/20 0.34
▸ CA9 Q16790 5/20 0.34
▸ KMT2A Q03164 5/20 0.34
▸ MEN1 O00255 3/20 0.34
▸ PIK3CA P42336 2/20 0.34
▸ MTOR P42345 2/20 0.34
▸ GBA1 P04062 2/20 0.33
▸ PTPN11 Q06124 1/20 0.33
▸ TP53 P04637 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ LMNA P02545 2/20 0.32
▸ USP2 O75604 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ ATM Q13315 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL13856903 0.90 MAPT (0.39) MAPTMAPK1CA12CA1CA2
SCHEMBL13856900 0.87 PTPN11 (0.35) PTPN11
SCHEMBL13201666 0.84 PTPN11 (0.33) PTPN11
SCHEMBL12432078 0.84 GBA1 (0.33) GBA1PTPN11
SCHEMBL13201678 0.84 PTPN11 (0.33) PTPN11
SCHEMBL13201668 0.80 GBA1 (0.33) GBA1PTPN11
SCHEMBL13330295 0.80 GBA1 (0.34) MAPTMAPK1CA12CA1CA2
SCHEMBL13201699 0.80 PTPN11 (0.36) CA12CA1CA2CA9PTPN11
SCHEMBL13201669 0.79 PHLPP2 (0.33) PTPN11
SCHEMBL13330317 0.78 KMT2A (0.38) MAPTMAPK1KMT2AMEN1GBA1

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-20090130399-A1 Water-Soluble Azo Compound, Ink Composition and Colored Article NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2009-05-21 — — US disclosed
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