SCHEMBL9179502

SCHEMBL9179502

COc1cc(N=Nc2ccc3cc(S(=O)(=O)O)ccc3c2)c(NC(C)=O)cc1N=Nc1ccc(N)cc1C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 11/20 0.54
▸ PHLPP2 Q6ZVD8 1/20 0.42
▸ SUMO2 P61956 2/20 0.39
▸ SUMO1 P63165 2/20 0.39
▸ SENP7 Q9BQF6 2/20 0.39
▸ SENP2 Q9HC62 2/20 0.39
▸ ATIC P31939 1/20 0.39
▸ NPC1 O15118 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ CASP6 P55212 1/20 0.37
▸ SENP3 Q9H4L4 1/20 0.37
▸ SENP1 Q9P0U3 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ HIF1A Q16665 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ CA3 P07451 1/20 0.36
▸ PTGS2 P35354 1/20 0.36
▸ PTPRC P08575 1/20 0.35
▸ ALOX15 P16050 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
SCHEMBL10448648 1.00 ENPP2 (0.54) ENPP2PHLPP2SUMO2SUMO1SENP7
SCHEMBL9180969 0.81 ENPP2 (0.49) ENPP2PHLPP2SUMO2SUMO1SENP7
SCHEMBL9175136 0.80 ENPP2 (0.53) ENPP2PHLPP2SUMO2SUMO1SENP7
SCHEMBL10448357 0.80 ENPP2 (0.53) ENPP2PHLPP2SUMO2SUMO1SENP7
SCHEMBL9180950 0.79 ENPP2 (0.63) ENPP2PHLPP2SUMO2SUMO1SENP7
SCHEMBL14469790 0.77 ENPP2 (0.45) ENPP2PHLPP2NPC1MAPTHTT
SCHEMBL9180746 0.76 PHLPP2 (0.53) ENPP2PHLPP2SUMO2SUMO1SENP7
SCHEMBL10448715 0.76 PHLPP2 (0.53) ENPP2PHLPP2SUMO2SUMO1SENP7
SCHEMBL9174123 0.76 PHLPP2 (0.53) ENPP2PHLPP2SUMO2SUMO1SENP7
SCHEMBL10448640 0.76 PHLPP2 (0.53) ENPP2PHLPP2SUMO2SUMO1SENP7

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 6 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-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
Send feedback