SCHEMBL22413442

SCHEMBL22413442

COc1cc(S(=O)(=O)CCOS(=O)(=O)O)c(C)cc1N=Nc1c(C(=O)O)cc(O)c(N=Nc2cc(S(=O)(=O)O)ccc2S(=O)(=O)O)c1O

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PHLPP2 Q6ZVD8 3/20 0.42
▸ PTPN1 P18031 2/20 0.42
▸ ENPP2 Q13822 4/20 0.40
▸ PRMT1 Q99873 1/20 0.38
▸ P2RX3 P56373 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ P2RX2 Q9UBL9 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ PTPN11 Q06124 1/20 0.33
▸ HIF1A Q16665 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ S1PR3 Q99500 1/20 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
SCHEMBL23126471 0.91 PTPN1 (0.40) PHLPP2PTPN1ENPP2PRMT1MEN1
SCHEMBL22413434 0.91 PHLPP2 (0.42) PHLPP2PTPN1ENPP2PRMT1KDM4E
SCHEMBL22413425 0.90 PTPN1 (0.39) PHLPP2PTPN1ENPP2PRMT1MEN1
SCHEMBL22413444 0.90 PTPN1 (0.39) PHLPP2PTPN1ENPP2PRMT1MEN1
SCHEMBL22411986 0.90 PHLPP2 (0.46) PHLPP2PTPN1ENPP2PRMT1MEN1
SCHEMBL22412251 0.90 PHLPP2 (0.44) PHLPP2PTPN1ENPP2PRMT1KDM4E
SCHEMBL22413433 0.88 PTPN1 (0.38) PHLPP2PTPN1ENPP2MEN1MAPT
SCHEMBL22413440 0.87 PHLPP2 (0.37) PHLPP2PTPN1ENPP2PRMT1MEN1
SCHEMBL22413416 0.86 PTPN1 (0.37) PHLPP2PTPN1ENPP2MEN1MAPT
SCHEMBL22413395 0.84 PHLPP2 (0.40) PHLPP2PTPN1ENPP2PRMT1KDM4E

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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