SCHEMBL22413425

SCHEMBL22413425

COc1cc(S(=O)(=O)CCOS(=O)(=O)O)c(C)cc1N=Nc1c(C(=O)O)cc(O)c(N=Nc2cc(S(=O)(=O)O)c(OC)cc2S(=O)(=O)O)c1O

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 2/20 0.39
▸ PHLPP2 Q6ZVD8 3/20 0.38
▸ ENPP2 Q13822 3/20 0.34
▸ BRD4 O60885 2/20 0.34
▸ TP53 P04637 1/20 0.34
▸ CREBBP Q92793 1/20 0.34
▸ MAPT P10636 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ MPL P40238 2/20 0.32
▸ PRMT1 Q99873 1/20 0.32
▸ CYP1A2 P05177 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
SCHEMBL22413444 0.97 PTPN1 (0.39) PTPN1PHLPP2ENPP2BRD4TP53
SCHEMBL23126471 0.94 PTPN1 (0.40) PTPN1PHLPP2ENPP2BRD4TP53
SCHEMBL22413433 0.91 PTPN1 (0.38) PTPN1PHLPP2ENPP2MAPTKMT2A
SCHEMBL22413442 0.90 PHLPP2 (0.42) PTPN1PHLPP2ENPP2MAPTKMT2A
SCHEMBL22413434 0.90 PHLPP2 (0.42) PTPN1PHLPP2ENPP2TP53MAPT
SCHEMBL22413440 0.90 PHLPP2 (0.37) PTPN1PHLPP2ENPP2BRD4TP53
SCHEMBL22413416 0.89 PTPN1 (0.37) PTPN1PHLPP2ENPP2MAPTKMT2A
SCHEMBL22413395 0.89 PHLPP2 (0.40) PTPN1PHLPP2ENPP2MAPTKMT2A
SCHEMBL22412251 0.88 PHLPP2 (0.44) PTPN1PHLPP2ENPP2TP53MAPT
SCHEMBL22411986 0.88 PHLPP2 (0.46) PTPN1PHLPP2ENPP2MAPTKMT2A

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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