SCHEMBL16488652

SCHEMBL16488652

Nc1c(N=Nc2ccc(N=Nc3cccc(S(=O)(=O)O)c3)c3cc(S(=O)(=O)O)c(N=Nc4ccccc4S(=O)(=O)O)c(O)c23)ccc2ccc(N=Nc3ccccc3[N+](=O)[O-])c(O)c12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 7/20 0.48
CYP1A2 P05177 6/20 0.46
PTPN11 Q06124 2/20 0.46
HPGD P15428 1/20 0.46
PTPN1 P18031 1/20 0.46
PTPN6 P29350 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MAPK1 P28482 2/20 0.44
CYP2C9 P11712 2/20 0.44
DNASE1L3 Q13609 1/20 0.44
SENP3 Q9H4L4 2/20 0.42
SENP2 Q9HC62 2/20 0.42
SENP1 Q9P0U3 2/20 0.42
SUMO2 P61956 1/20 0.42
SUMO1 P63165 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL16488680 0.91 CYP1A2 (0.45) ENPP2CYP1A2PTPN11HPGDPTPN1
SCHEMBL3434142 0.87 PTPN11 (0.50) ENPP2CYP1A2PTPN11HPGDPTPN1
SCHEMBL16488650 0.87 PTPN11 (0.48) ENPP2CYP1A2PTPN11HPGDPTPN1
SCHEMBL16488673 0.85 CYP1A2 (0.46) ENPP2CYP1A2PTPN11HPGDPTPN1
SCHEMBL16488674 0.84 CYP1A2 (0.47) ENPP2CYP1A2PTPN11HPGDMAPK1
SCHEMBL16488671 0.83 ENPP2 (0.45) ENPP2CYP1A2PTPN11HPGDMAPK1
SCHEMBL3434042 0.83 SENP2 (0.54) ENPP2CYP1A2PTPN11HPGDPTPN1
SCHEMBL16488662 0.83 CYP1A2 (0.52) ENPP2CYP1A2HPGDMAPK1CYP2C9
SCHEMBL16488678 0.82 CYP1A2 (0.43) ENPP2CYP1A2PTPN11HPGDPTPN1
SCHEMBL16488648 0.79 ENPP2 (0.48) ENPP2CYP1A2PTPN11HPGDMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9499707-B2 Water soluble and water fast dyes for ink jet printing REX-TONE INDUSTRIES LTD (IN) 2016-11-22 US disclosed
US-20150050466-A1 Water Soluble and Water Fast Dyes for Ink Jet Printing ILFORD IMAGING SWITZERLAND GMBH (CH) 2015-02-19 US disclosed