SCHEMBL22412684

SCHEMBL22412684

CC(=O)Nc1cc(N=Nc2c(C(=O)O)cc(O)c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)CCOS(=O)(=O)O)cc4S(=O)(=O)O)c(NC(C)=O)c3)c2O)ccc1N=Nc1ccc(S(=O)(=O)CCOS(=O)(=O)O)cc1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PHLPP2 Q6ZVD8 4/20 0.40
▸ CA2 P00918 1/20 0.39
▸ CA3 P07451 1/20 0.39
▸ ENPP2 Q13822 7/20 0.37
▸ CD40 P25942 1/20 0.36
▸ CD40LG P29965 1/20 0.36
▸ THRB P10828 1/20 0.33
▸ AMY1A P0DUB6 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ PRMT3 O60678 1/20 0.32
▸ EP300 Q09472 1/20 0.32
▸ PRMT6 Q96LA8 1/20 0.32
▸ PRMT1 Q99873 1/20 0.32
▸ P2RX5 Q93086 2/20 0.31
▸ P2RX4 Q99571 2/20 0.31
▸ P2RX2 Q9UBL9 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ CASP1 P29466 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
SCHEMBL22256417 0.98 PHLPP2 (0.41) PHLPP2CA2CA3ENPP2CD40
SCHEMBL22256357 0.97 PHLPP2 (0.42) PHLPP2CA2CA3ENPP2CD40
SCHEMBL22256267 0.92 PHLPP2 (0.41) PHLPP2CA2CA3ENPP2CD40
SCHEMBL22256368 0.91 PHLPP2 (0.42) PHLPP2CA2CA3ENPP2CD40
SCHEMBL22256297 0.91 PHLPP2 (0.42) PHLPP2CA2CA3ENPP2CD40
SCHEMBL22256317 0.90 PHLPP2 (0.42) PHLPP2CA2CA3ENPP2CD40
SCHEMBL22256253 0.90 PHLPP2 (0.42) PHLPP2CA2CA3ENPP2CD40
SCHEMBL22256414 0.90 PHLPP2 (0.41) PHLPP2CA2CA3ENPP2CD40
SCHEMBL22256369 0.88 GLO1 (0.39) PHLPP2CA2CA3ENPP2THRB
SCHEMBL22256302 0.88 PHLPP2 (0.45) PHLPP2CA2CA3ENPP2CD40

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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