SCHEMBL12832199

SCHEMBL12832199

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN11 Q06124 1/20 0.37
▸ CA2 P00918 2/20 0.36
▸ CA12 O43570 1/20 0.36
▸ CA1 P00915 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ ENPP2 Q13822 1/20 0.36
▸ ILK Q13418 6/20 0.35
▸ MAPT P10636 4/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ TDP1 Q9NUW8 3/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ MAPK1 P28482 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ PKM P14618 1/20 0.33

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
SCHEMBL14884317 0.89 ILK (0.38) CA2CA1ILKMAPTKMT2A
SCHEMBL14887207 0.89 MAPT (0.46) ILKMAPTKMT2ATDP1MEN1
SCHEMBL12758902 0.85 PTPN11 (0.32) PTPN11MAPTKMT2ATDP1MEN1
SCHEMBL12832201 0.83 ENPP2 (0.44) PTPN11CA2ENPP2KMT2AMEN1
SCHEMBL6126049 0.81 P2RX5 (0.41) ENPP2MAPTKMT2ATDP1MEN1
SCHEMBL6125338 0.81 ENPP2 (0.41) ENPP2MAPTKMT2ATDP1MEN1
SCHEMBL12830667 0.81 ENPP2 (0.42) ENPP2KMT2AMEN1POLBHTT
SCHEMBL6125389 0.81 ENPP2 (0.42) ENPP2KMT2AMEN1POLBHTT
SCHEMBL18257343 0.80 P2RX5 (0.43) ENPP2MAPTKMT2ATDP1MEN1
SCHEMBL6125350 0.79 S1PR3 (0.47) PTPN11ENPP2KMT2AMEN1MAPK1

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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