SCHEMBL22413434

SCHEMBL22413434

COc1cc(S(=O)(=O)CCOS(=O)(=O)O)c(C)cc1N=Nc1c(O)cc(C(=O)O)c(N=Nc2ccc(S(=O)(=O)CCOS(=O)(=O)O)cc2S(=O)(=O)O)c1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PHLPP2 Q6ZVD8 3/20 0.42
▸ PTPN1 P18031 2/20 0.42
▸ PRMT1 Q99873 1/20 0.36
▸ ENPP2 Q13822 5/20 0.35
▸ P2RX5 Q93086 1/20 0.35
▸ P2RX4 Q99571 1/20 0.35
▸ P2RX2 Q9UBL9 1/20 0.35
▸ ALDH1A1 P00352 3/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ MEN1 O00255 4/20 0.33
▸ MAPT P10636 4/20 0.33
▸ KMT2A Q03164 4/20 0.33
▸ GAA P10253 2/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ KDM4E B2RXH2 3/20 0.32
▸ TDP1 Q9NUW8 3/20 0.32
▸ NPC1 O15118 2/20 0.32
▸ HTT P42858 2/20 0.32
▸ RAB9A P51151 2/20 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
SCHEMBL22412251 0.94 PHLPP2 (0.44) PHLPP2PTPN1PRMT1ENPP2ALDH1A1
SCHEMBL22411986 0.91 PHLPP2 (0.46) PHLPP2PTPN1PRMT1ENPP2ALDH1A1
SCHEMBL22256258 0.91 PHLPP2 (0.41) PHLPP2PTPN1PRMT1ENPP2P2RX5
SCHEMBL22256356 0.91 PHLPP2 (0.41) PHLPP2PTPN1PRMT1ENPP2P2RX5
SCHEMBL23126471 0.91 PTPN1 (0.40) PHLPP2PTPN1PRMT1ENPP2ALDH1A1
SCHEMBL22413442 0.91 PHLPP2 (0.42) PHLPP2PTPN1PRMT1ENPP2P2RX2
SCHEMBL22256363 0.91 PHLPP2 (0.41) PHLPP2PTPN1PRMT1ENPP2ALDH1A1
SCHEMBL22413444 0.90 PTPN1 (0.39) PHLPP2PTPN1PRMT1ENPP2ALDH1A1
SCHEMBL22413425 0.90 PTPN1 (0.39) PHLPP2PTPN1PRMT1ENPP2ALDH1A1
SCHEMBL22413436 0.88 PHLPP2 (0.41) PHLPP2ENPP2P2RX5P2RX4P2RX2

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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