SCHEMBL8771594

SCHEMBL8771594

COc1cc(S(=O)(=O)O)c(N=Nc2c(S(=O)(=O)O)cc3cc(S(=O)(=O)O)c(N=Nc4ccc5ccccc5c4S(=O)(=O)O)c(O)c3c2N)cc1N

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 10/20 0.51
▸ PHLPP2 Q6ZVD8 2/20 0.47
▸ CYP1A2 P05177 2/20 0.47
▸ MAPK1 P28482 2/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ DNASE1L3 Q13609 1/20 0.47
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ HTT P42858 1/20 0.43
▸ MPL P40238 1/20 0.42
▸ CTRC Q99895 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ THRB P10828 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ APEX1 P27695 1/20 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
SCHEMBL10448386 1.00 ENPP2 (0.51) ENPP2PHLPP2CYP1A2MAPK1CYP2C9
SCHEMBL8771647 1.00 ENPP2 (0.51) ENPP2PHLPP2CYP1A2MAPK1CYP2C9
SCHEMBL8771718 0.97 ENPP2 (0.51) ENPP2PHLPP2CYP1A2MAPK1CYP2C9
SCHEMBL8855392 0.97 ENPP2 (0.51) ENPP2PHLPP2CYP1A2MAPK1CYP2C9
SCHEMBL10448230 0.89 ENPP2 (0.55) ENPP2PHLPP2CYP1A2MAPK1CYP2C9
SCHEMBL9175069 0.89 ENPP2 (0.55) ENPP2PHLPP2CYP1A2MAPK1CYP2C9
SCHEMBL10448712 0.89 ENPP2 (0.55) ENPP2PHLPP2CYP1A2MAPK1CYP2C9
SCHEMBL9174220 0.89 ENPP2 (0.55) ENPP2PHLPP2CYP1A2MAPK1CYP2C9
SCHEMBL8855382 0.89 ENPP2 (0.53) ENPP2PHLPP2CYP1A2MAPK1CYP2C9
SCHEMBL10448396 0.88 ENPP2 (0.55) ENPP2PHLPP2CYP1A2MAPK1CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0609832-B1 Disazo compounds and use thereof as fiber reactive dyes SUMITOMO CHEMICAL CO (JP) 1997-10-01 — — EP disclosed
US-5478927-A Bisazo compounds and use thereof as fiber reactive dyes SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1995-12-26 — — US disclosed
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-0609832-A1 Disazo compounds and use thereof as fiber reactive dyes SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1994-08-10 — — 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-0400647-A1 Polyazo dye compounds having vinylsulfone type and pyridinium type fiber reactive groups SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1990-12-05 — — EP 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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