SCHEMBL9340569

SCHEMBL9340569

Nc1ccc2cc(S(=O)(=O)O)c(/N=N/c3ccc(/N=N/c4ccc(C(=O)O)cc4)c4cc(C(=O)O)ccc34)c(O)c2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 9/20 0.47
CD40 P25942 1/20 0.46
CD40LG P29965 1/20 0.46
PHLPP2 Q6ZVD8 1/20 0.44
CA2 P00918 1/20 0.43
CA3 P07451 1/20 0.43
PRMT3 O60678 1/20 0.42
EP300 Q09472 1/20 0.42
PRMT6 Q96LA8 1/20 0.42
PRMT1 Q99873 1/20 0.42
CYP1A2 P05177 1/20 0.42
KMT2A Q03164 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
MEN1 O00255 1/20 0.40
THRB P10828 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
ATM Q13315 1/20 0.40
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL9338755 1.00 ENPP2 (0.47) ENPP2CD40CD40LGPHLPP2CA2
SCHEMBL9340580 1.00 ENPP2 (0.47) ENPP2CD40CD40LGPHLPP2CA2
SCHEMBL9338748 1.00 ENPP2 (0.47) ENPP2CD40CD40LGPHLPP2CA2
SCHEMBL9338817 0.94 ENPP2 (0.44) ENPP2CD40CD40LGPHLPP2CA2
SCHEMBL9338822 0.94 ENPP2 (0.44) ENPP2CD40CD40LGPHLPP2CA2
SCHEMBL9338824 0.94 ENPP2 (0.44) ENPP2CD40CD40LGPHLPP2CA2
SCHEMBL9338833 0.94 ENPP2 (0.44) ENPP2CD40CD40LGPHLPP2CA2
SCHEMBL8955236 0.93 ENPP2 (0.51) ENPP2CD40CD40LGPHLPP2CA2
SCHEMBL8955249 0.93 ENPP2 (0.51) ENPP2CD40CD40LGPHLPP2CA2
SCHEMBL9339597 0.93 ENPP2 (0.50) ENPP2CD40CD40LGPHLPP2PRMT3

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
EP-0356080-B1 Anionic dye ZENECA LTD (GB) 1994-06-08 EP disclosed
US-5203912-A Differential water solubility dependent on PH; high waterfastness on paper IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-04-20 US disclosed
US-5053495-A For thermal ink jet printing IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-10-01 US disclosed
EP-0356080-A2 Anionic dye ZENECA LIMITED (GB) 1990-02-28 EP disclosed