SCHEMBL22256402

SCHEMBL22256402

CC(=O)Nc1cc(N=Nc2c(O)cc(C(=O)O)c(N=Nc3ccc(S(=O)(=O)CCOS(=O)(=O)O)cc3)c2O)c(S(=O)(=O)O)cc1N=Nc1ccc(S(=O)(=O)CCOS(=O)(=O)O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 1/20 0.46
▸ CA2 P00918 1/20 0.43
▸ CA3 P07451 1/20 0.43
▸ PHLPP2 Q6ZVD8 5/20 0.39
▸ THRB P10828 1/20 0.37
▸ AMY1A P0DUB6 5/20 0.36
▸ MAPT P10636 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ PRMT3 O60678 1/20 0.35
▸ EP300 Q09472 1/20 0.35
▸ PRMT6 Q96LA8 1/20 0.35
▸ PRMT1 Q99873 1/20 0.35
▸ CD40 P25942 1/20 0.34
▸ CD40LG P29965 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ USP2 O75604 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ TDP1 Q9NUW8 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
SCHEMBL22256357 0.91 PHLPP2 (0.42) ENPP2CA2CA3PHLPP2THRB
SCHEMBL22256417 0.91 PHLPP2 (0.41) ENPP2CA2CA3PHLPP2THRB
SCHEMBL22256368 0.90 PHLPP2 (0.42) ENPP2CA2CA3PHLPP2THRB
SCHEMBL22256297 0.90 PHLPP2 (0.42) ENPP2CA2CA3PHLPP2THRB
SCHEMBL22412684 0.88 PHLPP2 (0.40) ENPP2CA2CA3PHLPP2THRB
SCHEMBL14546978 0.88 ENPP2 (0.51) ENPP2CA2CA3PHLPP2THRB
SCHEMBL22411683 0.86 PHLPP2 (0.45) ENPP2CA2CA3PHLPP2THRB
SCHEMBL22256302 0.86 PHLPP2 (0.45) ENPP2CA2CA3PHLPP2THRB
SCHEMBL22413435 0.86 PHLPP2 (0.45) ENPP2CA2CA3PHLPP2THRB
SCHEMBL22256262 0.86 PHLPP2 (0.39) ENPP2CA2CA3PHLPP2THRB

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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