SCHEMBL22256308

SCHEMBL22256308

Cc1cc(N=Nc2c(O)cc(C(=O)O)c(N=Nc3ccc(S(=O)(=O)CCOS(=O)(=O)O)cc3)c2O)c(C)cc1N=Nc1ccc(S(=O)(=O)CCOS(=O)(=O)O)cc1S(=O)(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PHLPP2 Q6ZVD8 5/20 0.49
▸ THRB P10828 1/20 0.38
▸ P2RX5 Q93086 1/20 0.37
▸ P2RX4 Q99571 1/20 0.37
▸ P2RX2 Q9UBL9 1/20 0.37
▸ CD40 P25942 1/20 0.35
▸ CD40LG P29965 1/20 0.35
▸ BRD4 O60885 1/20 0.35
▸ RPS6KA3 P51812 1/20 0.35
▸ ENPP2 Q13822 3/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ HIF1A Q16665 1/20 0.35
▸ CYP1A2 P05177 2/20 0.35
▸ 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
▸ CYP2C9 P11712 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
SCHEMBL22256332 0.96 PHLPP2 (0.48) PHLPP2THRBP2RX5P2RX4P2RX2
SCHEMBL22413435 0.95 PHLPP2 (0.45) PHLPP2THRBP2RX5P2RX4P2RX2
SCHEMBL22411683 0.95 PHLPP2 (0.45) PHLPP2THRBP2RX5P2RX4P2RX2
SCHEMBL22256302 0.95 PHLPP2 (0.45) PHLPP2THRBP2RX5P2RX4P2RX2
SCHEMBL22413436 0.91 PHLPP2 (0.41) PHLPP2THRBP2RX5P2RX4P2RX2
SCHEMBL22413394 0.91 PHLPP2 (0.42) PHLPP2THRBP2RX5P2RX4P2RX2
SCHEMBL22256261 0.90 MEN1 (0.42) PHLPP2THRBCD40CD40LGENPP2
SCHEMBL22413439 0.89 PHLPP2 (0.42) PHLPP2THRBP2RX5P2RX4P2RX2
SCHEMBL22256357 0.88 PHLPP2 (0.42) PHLPP2THRBCD40CD40LGENPP2
SCHEMBL22413434 0.87 PHLPP2 (0.42) PHLPP2THRBP2RX5P2RX4P2RX2

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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