SCHEMBL22256254

SCHEMBL22256254

NC(=O)Nc1cc(N=Nc2c(O)cc(C(=O)O)c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)CCOS(=O)(=O)O)cc4)c4cc(S(=O)(=O)O)ccc34)c2O)ccc1N=Nc1ccc(S(=O)(=O)CCOS(=O)(=O)O)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PHLPP2 Q6ZVD8 5/20 0.38
▸ CYP2C9 P11712 2/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ PTPN11 Q06124 1/20 0.37
▸ THRB P10828 2/20 0.36
▸ CD40 P25942 1/20 0.35
▸ CD40LG P29965 1/20 0.35
▸ SENP3 Q9H4L4 4/20 0.35
▸ SENP2 Q9HC62 4/20 0.35
▸ SENP1 Q9P0U3 4/20 0.35
▸ SUMO2 P61956 2/20 0.35
▸ SUMO1 P63165 2/20 0.35
▸ SENP7 Q9BQF6 2/20 0.35
▸ ENPP2 Q13822 1/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ TDP1 Q9NUW8 2/20 0.35
▸ USP2 O75604 1/20 0.35
▸ POLB P06746 1/20 0.35

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
SCHEMBL22256301 1.00 PHLPP2 (0.38) PHLPP2CYP2C9HSD17B10CYP2C19PTPN11
SCHEMBL22256326 0.93 THRB (0.40) PHLPP2CYP2C9HSD17B10THRBCD40
SCHEMBL22256355 0.93 THRB (0.40) PHLPP2CYP2C9HSD17B10THRBCD40
SCHEMBL22256316 0.91 PHLPP2 (0.43) PHLPP2CYP2C9HSD17B10CYP2C19PTPN11
SCHEMBL22256359 0.91 PHLPP2 (0.43) PHLPP2CYP2C9HSD17B10CYP2C19PTPN11
SCHEMBL22256416 0.91 PHLPP2 (0.43) PHLPP2CYP2C9HSD17B10CYP2C19PTPN11
SCHEMBL22256327 0.90 PHLPP2 (0.38) PHLPP2CYP2C9HSD17B10PTPN11THRB
SCHEMBL22256317 0.90 PHLPP2 (0.42) PHLPP2CYP2C9HSD17B10THRBCD40
SCHEMBL22256253 0.90 PHLPP2 (0.42) PHLPP2CYP2C9HSD17B10THRBCD40
SCHEMBL22256414 0.88 PHLPP2 (0.41) PHLPP2CYP2C9HSD17B10PTPN11THRB

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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