SCHEMBL22256367

SCHEMBL22256367

O=NCNc1cc(N=Nc2c(C(=O)O)cc(O)c(N=Nc3ccc(S(=O)(=O)CCOS(=O)(=O)O)cc3)c2O)ccc1N=Nc1ccc(S(=O)(=O)CCOS(=O)(=O)O)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PHLPP2 Q6ZVD8 6/20 0.39
▸ THRB P10828 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ CYP2C9 P11712 2/20 0.35
▸ PTGS1 P23219 1/20 0.35
▸ PTGS2 P35354 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ MEN1 O00255 3/20 0.33
▸ MAPT P10636 3/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ USP2 O75604 2/20 0.33
▸ TDP1 Q9NUW8 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ HRH3 Q9Y5N1 2/20 0.31
▸ CA2 P00918 2/20 0.31
▸ ABCC3 O15438 1/20 0.31
▸ ABCC4 O15439 1/20 0.31
▸ SLCO2B1 O94956 1/20 0.31
▸ CA1 P00915 1/20 0.31
▸ LMNA P02545 1/20 0.31

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
SCHEMBL22256365 0.95 PHLPP2 (0.40) PHLPP2THRBALDH1A1CYP2C9PTGS1
SCHEMBL22413446 0.89 THRB (0.32) PHLPP2THRB
SCHEMBL22256368 0.88 PHLPP2 (0.42) PHLPP2THRBALDH1A1CYP2C9PTGS1
SCHEMBL22256297 0.88 PHLPP2 (0.42) PHLPP2THRBALDH1A1CYP2C9PTGS1
SCHEMBL22256326 0.87 THRB (0.40) PHLPP2THRBALDH1A1CYP2C9PTGS1
SCHEMBL22256355 0.87 THRB (0.40) PHLPP2THRBALDH1A1CYP2C9PTGS1
SCHEMBL22256361 0.87 PHLPP2 (0.41) PHLPP2PTGS1MEN1MAPTKMT2A
SCHEMBL22413422 0.86 THRB (0.45) PHLPP2THRBALDH1A1CYP2C9PTGS1
SCHEMBL22256305 0.83 MEN1 (0.45) PHLPP2THRBALDH1A1CYP2C9PTGS1
SCHEMBL22413435 0.83 PHLPP2 (0.45) PHLPP2THRBALDH1A1CYP2C9PTGS1

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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