SCHEMBL7591307

SCHEMBL7591307

Nc1ccc2cc(S(=O)(=O)O)c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)O)cc4)c4ccc(S(=O)(=O)O)cc34)c(O)c2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CD40 P25942 1/20 0.55
CD40LG P29965 1/20 0.55
CYP2C9 P11712 2/20 0.53
CYP2C19 P33261 1/20 0.53
HSD17B10 Q99714 1/20 0.53
ENPP2 Q13822 8/20 0.53
MEN1 O00255 1/20 0.52
THRB P10828 1/20 0.52
KMT2A Q03164 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
SENP2 Q9HC62 3/20 0.51
SENP3 Q9H4L4 2/20 0.51
SENP1 Q9P0U3 2/20 0.51
SUMO2 P61956 2/20 0.51
SUMO1 P63165 2/20 0.51
SENP7 Q9BQF6 2/20 0.51
PHLPP2 Q6ZVD8 1/20 0.50
CA2 P00918 1/20 0.48
CA3 P07451 1/20 0.48
CYP1A2 P05177 2/20 0.47

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
SCHEMBL9331800 1.00 CD40 (0.55) CD40CD40LGCYP2C9CYP2C19HSD17B10
SCHEMBL7583527 0.93 MEN1 (0.55) CD40CD40LGCYP2C9ENPP2MEN1
SCHEMBL8601677 0.92 MEN1 (0.48) CD40CD40LGCYP2C9CYP2C19HSD17B10
SCHEMBL8601673 0.92 MEN1 (0.48) CD40CD40LGCYP2C9CYP2C19HSD17B10
SCHEMBL9331711 0.92 MEN1 (0.54) CD40CD40LGCYP2C9CYP2C19HSD17B10
SCHEMBL9331723 0.92 MEN1 (0.54) CD40CD40LGCYP2C9CYP2C19HSD17B10
SCHEMBL7583791 0.92 MEN1 (0.54) CD40CD40LGCYP2C9CYP2C19HSD17B10
SCHEMBL9335125 0.91 MEN1 (0.51) CD40CD40LGCYP2C9CYP2C19HSD17B10
SCHEMBL9335138 0.91 MEN1 (0.51) CD40CD40LGCYP2C9CYP2C19HSD17B10
SCHEMBL13629219 0.90 ATIC (0.54) CD40CD40LGCYP2C9CYP2C19HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3052963-A None JP disclosed
EP-0669381-B1 Dye, ink containing the same, and ink-jet recording method and instrument using the ink CANON KK (JP) 2002-09-11 EP disclosed
US-5733363-A WATER FASTNESS; SOLUTION SOLUBILITY CANON KABUSHIKI KAISHA (JP) 1998-03-31 US disclosed
EP-0669381-A2 Dye, ink containing the same, and ink-jet recording method and instrument using the ink CANON KABUSHIKI KAISHA (JP) 1995-08-30 EP disclosed
EP-0408195-B1 Solvent soluble dye ZENECA LTD (GB) 1994-04-27 EP disclosed
US-5055566-A AMINE SALTS OF DISAZO BLACK DYES HAVING GOOD SOLUBILITY IN POLAR ORGANIC SOLVENTS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-10-08 US disclosed
JP-H0352963-A NOVEL DYE COMPOUND AND INK CONTAINING THE SAME IMPERIAL CHEM IND PLC <ICI> 1991-03-07 JP disclosed
EP-0408195-A2 Solvent soluble dye ZENECA LIMITED (GB) 1991-01-16 EP disclosed