SCHEMBL22413433

SCHEMBL22413433

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

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 2/20 0.38
▸ PHLPP2 Q6ZVD8 2/20 0.36
▸ MEN1 O00255 2/20 0.34
▸ GAA P10253 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ NPSR1 Q6W5P4 2/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ ENPP2 Q13822 2/20 0.34
▸ GLO1 Q04760 2/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ PSMD14 O00487 1/20 0.30
▸ HSP90AA1 P07900 1/20 0.30
▸ MMP2 P08253 1/20 0.30
▸ THRB P10828 1/20 0.30
▸ MAPK1 P28482 1/20 0.30
▸ TDP1 Q9NUW8 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 0.96 PTPN1 (0.40) PTPN1PHLPP2MEN1GAAMAPT
SCHEMBL22413416 0.91 PTPN1 (0.37) PTPN1PHLPP2MEN1GAAMAPT
SCHEMBL22413444 0.91 PTPN1 (0.39) PTPN1PHLPP2MEN1GAAMAPT
SCHEMBL22413425 0.91 PTPN1 (0.39) PTPN1PHLPP2MEN1GAAMAPT
SCHEMBL22413440 0.91 PHLPP2 (0.37) PTPN1PHLPP2MEN1GAAMAPT
SCHEMBL22412251 0.90 PHLPP2 (0.44) PTPN1PHLPP2MEN1GAAMAPT
SCHEMBL22411986 0.90 PHLPP2 (0.46) PTPN1PHLPP2MEN1GAAMAPT
SCHEMBL22413395 0.89 PHLPP2 (0.40) PTPN1PHLPP2MEN1GAAMAPT
SCHEMBL22413442 0.88 PHLPP2 (0.42) PTPN1PHLPP2MEN1MAPTKMT2A
SCHEMBL22413434 0.88 PHLPP2 (0.42) PTPN1PHLPP2MEN1GAAMAPT

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
Send feedback