SCHEMBL9174348

SCHEMBL9174348

COc1cc(N=Nc2ccc3ccc(S(=O)(=O)O)cc3c2S(=O)(=O)O)c(NC(C)=O)cc1N=Nc1c(S(=O)(=O)O)cc2cc(S(=O)(=O)O)cc(N)c2c1O

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 10/20 0.61
▸ MEN1 O00255 1/20 0.51
▸ HTT P42858 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ PHLPP2 Q6ZVD8 2/20 0.47
▸ CYP1A2 P05177 2/20 0.45
▸ CA2 P00918 1/20 0.43
▸ CA3 P07451 1/20 0.43
▸ CYP2C9 P11712 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ DNASE1L3 Q13609 1/20 0.42
▸ USP2 O75604 1/20 0.42
▸ PTPN1 P18031 1/20 0.42
▸ ATM Q13315 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ PRMT1 Q99873 2/20 0.41

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
SCHEMBL10448693 1.00 ENPP2 (0.61) ENPP2MEN1HTTKMT2APHLPP2
SCHEMBL9173578 0.94 ENPP2 (0.60) ENPP2MEN1HTTKMT2APHLPP2
SCHEMBL10432654 0.83 ENPP2 (0.53) ENPP2MEN1HTTKMT2APHLPP2
SCHEMBL16452394 0.82 ENPP2 (0.58) ENPP2MEN1HTTKMT2APHLPP2
SCHEMBL16451679 0.82 ENPP2 (0.56) ENPP2MEN1HTTKMT2APHLPP2
SCHEMBL18218227 0.81 ENPP2 (0.52) ENPP2MEN1HTTKMT2APHLPP2
SCHEMBL31490006 0.79 ENPP2 (0.77) ENPP2MEN1HTTKMT2APHLPP2
SCHEMBL24279789 0.77 ENPP2 (0.85) ENPP2MEN1HTTKMT2APHLPP2
SCHEMBL6028562 0.77 PHLPP2 (0.65) ENPP2MEN1HTTKMT2APHLPP2
SCHEMBL8780040 0.77 ENPP2 (1.00) ENPP2MEN1HTTKMT2APHLPP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0400647-B1 Polyazo dye compounds having vinylsulfone type and pyridinium type fiber reactive groups SUMITOMO CHEMICAL CO (JP) 1995-04-26 — — EP disclosed
EP-0400648-B1 Polyazo dye compounds having plural vinylsulfone type fiber reactive groups in one molecule SUMITOMO CHEMICAL CO (JP) 1994-06-08 — — EP disclosed
US-5116956-A POLYAZO DYE COMPOUNDS HAVING VINYLSULFONE TYPE AND PYRIDINIUM TYPE FIBER REACTIVE GROUPS SUMITOMO CHEMICAL CO., LTD. (JP) 1992-05-26 — — US disclosed
US-5112959-A Dyes for cellulose, polyamides and polyurethanes SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1992-05-12 — — US disclosed
EP-0400648-A1 Polyazo dye compounds having plural vinylsulfone type fiber reactive groups in one molecule SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1990-12-05 — — EP disclosed
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