SCHEMBL22256414

SCHEMBL22256414

NC(=O)Nc1cc(N=Nc2c(O)cc(C(=O)O)c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)CCOS(=O)(=O)O)cc4S(=O)(=O)O)c(NC(N)=O)c3)c2O)ccc1N=Nc1ccc(S(=O)(=O)CCOS(=O)(=O)O)cc1S(=O)(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PHLPP2 Q6ZVD8 4/20 0.41
▸ CD40 P25942 1/20 0.37
▸ CD40LG P29965 1/20 0.37
▸ THRB P10828 1/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ USP2 O75604 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.33
▸ CYP2C9 P11712 2/20 0.33
▸ HSD17B10 Q99714 2/20 0.33
▸ CYP1A2 P05177 2/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA3 P07451 1/20 0.33
▸ PTGS1 P23219 1/20 0.33
▸ PTGS2 P35354 1/20 0.33
▸ MPL P40238 1/20 0.33
▸ GLO1 Q04760 2/20 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
SCHEMBL22256317 0.98 PHLPP2 (0.42) PHLPP2CD40CD40LGTHRBMEN1
SCHEMBL22256253 0.98 PHLPP2 (0.42) PHLPP2CD40CD40LGTHRBMEN1
SCHEMBL22256354 0.94 PHLPP2 (0.41) PHLPP2CD40CD40LGTHRBMEN1
SCHEMBL22256265 0.94 PHLPP2 (0.41) PHLPP2CD40CD40LGTHRBMEN1
SCHEMBL22256264 0.94 PHLPP2 (0.39) PHLPP2CD40CD40LGTHRBMEN1
SCHEMBL22256355 0.93 THRB (0.40) PHLPP2CD40CD40LGTHRBMEN1
SCHEMBL22256326 0.93 THRB (0.40) PHLPP2CD40CD40LGTHRBMEN1
SCHEMBL22256417 0.92 PHLPP2 (0.41) PHLPP2CD40CD40LGTHRBMEN1
SCHEMBL22256357 0.92 PHLPP2 (0.42) PHLPP2CD40CD40LGTHRBMEN1
SCHEMBL22412684 0.90 PHLPP2 (0.40) PHLPP2CD40CD40LGTHRBMAPT

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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