SCHEMBL22256355

SCHEMBL22256355

NC(=O)Nc1cc(N=Nc2c(O)cc(C(=O)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 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 1/20 0.40
▸ PHLPP2 Q6ZVD8 5/20 0.39
▸ PTGS2 P35354 4/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ CYP2C9 P11712 2/20 0.38
▸ PTGS1 P23219 2/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ MEN1 O00255 3/20 0.37
▸ MAPT P10636 3/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ USP2 O75604 2/20 0.37
▸ POLB P06746 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ GLO1 Q04760 2/20 0.35
▸ AMY1A P0DUB6 2/20 0.34
▸ CA2 P00918 2/20 0.34
▸ CA3 P07451 1/20 0.34
▸ HIF1A Q16665 2/20 0.33
▸ ABCC3 O15438 1/20 0.33
▸ ABCC4 O15439 1/20 0.33

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
SCHEMBL22256326 1.00 THRB (0.40) THRBPHLPP2PTGS2ALDH1A1CYP2C9
SCHEMBL22256327 0.94 PHLPP2 (0.38) THRBPHLPP2PTGS2ALDH1A1CYP2C9
SCHEMBL22256317 0.94 PHLPP2 (0.42) THRBPHLPP2PTGS2ALDH1A1CYP2C9
SCHEMBL22256253 0.94 PHLPP2 (0.42) THRBPHLPP2PTGS2ALDH1A1CYP2C9
SCHEMBL22256254 0.93 PHLPP2 (0.38) THRBPHLPP2PTGS2ALDH1A1CYP2C9
SCHEMBL22256268 0.93 PHLPP2 (0.47) THRBPHLPP2PTGS2ALDH1A1CYP2C9
SCHEMBL22256301 0.93 PHLPP2 (0.38) THRBPHLPP2PTGS2ALDH1A1CYP2C9
SCHEMBL22256414 0.93 PHLPP2 (0.41) THRBPHLPP2PTGS2ALDH1A1CYP2C9
SCHEMBL22256297 0.92 PHLPP2 (0.42) THRBPHLPP2PTGS2ALDH1A1CYP2C9
SCHEMBL22256368 0.92 PHLPP2 (0.42) THRBPHLPP2PTGS2ALDH1A1CYP2C9

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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