SCHEMBL22256368

SCHEMBL22256368

CC(=O)Nc1cc(N=Nc2c(O)cc(C(=O)O)c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)CCOS(=O)(=O)O)cc4)c(NC(C)=O)c3)c2O)ccc1N=Nc1ccc(S(=O)(=O)CCOS(=O)(=O)O)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PHLPP2 Q6ZVD8 5/20 0.42
▸ CA2 P00918 1/20 0.40
▸ CA3 P07451 1/20 0.40
▸ AMY1A P0DUB6 7/20 0.39
▸ THRB P10828 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ PTGS1 P23219 1/20 0.36
▸ PTGS2 P35354 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ ENPP2 Q13822 1/20 0.36
▸ MAPT P10636 3/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ GAA P10253 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ USP2 O75604 1/20 0.34

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
SCHEMBL22256297 1.00 PHLPP2 (0.42) PHLPP2CA2CA3AMY1ATHRB
SCHEMBL22256262 0.95 PHLPP2 (0.39) PHLPP2CA2CA3AMY1ATHRB
SCHEMBL22256357 0.94 PHLPP2 (0.42) PHLPP2CA2CA3AMY1ATHRB
SCHEMBL22256417 0.94 PHLPP2 (0.41) PHLPP2CA2CA3AMY1ATHRB
SCHEMBL22256369 0.93 GLO1 (0.39) PHLPP2CA2CA3AMY1ATHRB
SCHEMBL22256309 0.93 PHLPP2 (0.44) PHLPP2CA2CA3AMY1ATHRB
SCHEMBL22256355 0.92 THRB (0.40) PHLPP2CA2CA3AMY1ATHRB
SCHEMBL22256326 0.92 THRB (0.40) PHLPP2CA2CA3AMY1ATHRB
SCHEMBL22256303 0.92 PHLPP2 (0.43) PHLPP2CA2CA3AMY1ATHRB
SCHEMBL22412684 0.91 PHLPP2 (0.40) PHLPP2CA2CA3AMY1ATHRB

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11370921-B2 Reactive dye compound and preparation method and application thereof Shanghai Kehua dyestuff Industry Co., Ltd. (CN) 2022-06-28 — — US disclosed
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
US-20200231819-A1 A REACTIVE DYE COMPOUND AND PREPARATION METHOD AND APPLICATION THEREOF ZHEJIANG KEYONG CHEMICAL CO., LTD. (CN) 2020-07-23 — — US disclosed
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