SCHEMBL22413440

SCHEMBL22413440

C=CS(=O)(=O)c1cc(OC)c(N=Nc2c(O)cc(C(=O)O)c(N=Nc3cc(C)c(S(=O)(=O)CCOS(=O)(=O)O)cc3OC)c2O)cc1C

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PHLPP2 Q6ZVD8 2/20 0.37
▸ PTPN1 P18031 2/20 0.37
▸ PRMT1 Q99873 1/20 0.37
▸ MEN1 O00255 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ ENPP2 Q13822 1/20 0.33
▸ MPL P40238 1/20 0.30
▸ BRD4 O60885 1/20 0.30
▸ TP53 P04637 1/20 0.30
▸ CREBBP Q92793 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ CYP1A2 P05177 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 0.94 PTPN1 (0.40) PHLPP2PTPN1PRMT1MEN1GAA
SCHEMBL22413433 0.91 PTPN1 (0.38) PHLPP2PTPN1MEN1GAAMAPT
SCHEMBL22413444 0.90 PTPN1 (0.39) PHLPP2PTPN1PRMT1MEN1GAA
SCHEMBL22413425 0.90 PTPN1 (0.39) PHLPP2PTPN1PRMT1MEN1GAA
SCHEMBL22413416 0.89 PTPN1 (0.37) PHLPP2PTPN1MEN1GAAMAPT
SCHEMBL22411986 0.88 PHLPP2 (0.46) PHLPP2PTPN1PRMT1MEN1GAA
SCHEMBL22412251 0.88 PHLPP2 (0.44) PHLPP2PTPN1PRMT1MEN1GAA
SCHEMBL22413434 0.87 PHLPP2 (0.42) PHLPP2PTPN1PRMT1MEN1GAA
SCHEMBL22413442 0.87 PHLPP2 (0.42) PHLPP2PTPN1PRMT1MEN1MAPT
SCHEMBL22413395 0.87 PHLPP2 (0.40) PHLPP2PTPN1PRMT1MEN1GAA

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