SCHEMBL22413395

SCHEMBL22413395

COc1cc(S(=O)(=O)CCOS(=O)(=O)O)c(OC)cc1N=Nc1c(O)cc(C(=O)O)c(N=Nc2cc(OC)c(S(=O)(=O)CCOS(=O)(=O)O)cc2OC)c1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PHLPP2 Q6ZVD8 2/20 0.40
▸ MAPT P10636 4/20 0.38
▸ KMT2A Q03164 4/20 0.38
▸ MEN1 O00255 3/20 0.38
▸ NPSR1 Q6W5P4 2/20 0.38
▸ GAA P10253 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ PTPN1 P18031 2/20 0.34
▸ TDP1 Q9NUW8 1/20 0.33
▸ ALDH1A1 P00352 3/20 0.32
▸ MPL P40238 2/20 0.32
▸ POLB P06746 1/20 0.32
▸ PKM P14618 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ PRMT1 Q99873 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ ENPP2 Q13822 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ TPMT P51580 1/20 0.30

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
SCHEMBL23126471 0.92 PTPN1 (0.40) PHLPP2MAPTKMT2AMEN1NPSR1
SCHEMBL22413433 0.89 PTPN1 (0.38) PHLPP2MAPTKMT2AMEN1NPSR1
SCHEMBL22413425 0.89 PTPN1 (0.39) PHLPP2MAPTKMT2AMEN1NPSR1
SCHEMBL22413416 0.88 PTPN1 (0.37) PHLPP2MAPTKMT2AMEN1NPSR1
SCHEMBL22413440 0.87 PHLPP2 (0.37) PHLPP2MAPTKMT2AMEN1NPSR1
SCHEMBL22413444 0.87 PTPN1 (0.39) PHLPP2MAPTKMT2AMEN1NPSR1
SCHEMBL22412251 0.86 PHLPP2 (0.44) PHLPP2MAPTKMT2AMEN1NPSR1
SCHEMBL22411986 0.86 PHLPP2 (0.46) PHLPP2MAPTKMT2AMEN1NPSR1
SCHEMBL22413396 0.85 PHLPP2 (0.43) PHLPP2MAPTKMT2AMEN1NPSR1
SCHEMBL22413434 0.84 PHLPP2 (0.42) PHLPP2MAPTKMT2AMEN1NPSR1

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-10954392-B2 Reactive navy to black dye composition and dye product thereof ZHEJIANG KEYONG CHEMICAL CO., LTD. (CN) 2021-03-23 — — US disclosed
US-20200283634-A1 A REACTIVE NAVY TO BLACK DYE COMPOSITION AND DYE PRODUCT THEREOF Shanghai Kehua dyestuff Industry Co., Ltd. (CN) 2020-09-10 — — US disclosed
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