SCHEMBL16488680

SCHEMBL16488680

Nc1c(N=Nc2ccc(N=Nc3ccccc3S(=O)(=O)O)c3ccc(N=Nc4ccccc4[N+](=O)[O-])c(O)c23)cc(S(=O)(=O)O)c2cc(S(=O)(=O)O)c(N=Nc3cccc(S(=O)(=O)O)c3)c(O)c12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 5/20 0.45
PTPN11 Q06124 2/20 0.44
HPGD P15428 1/20 0.44
PTPN1 P18031 1/20 0.44
PTPN6 P29350 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ENPP2 Q13822 5/20 0.43
SENP2 Q9HC62 5/20 0.41
SENP1 Q9P0U3 5/20 0.41
SENP3 Q9H4L4 3/20 0.41
SUMO2 P61956 3/20 0.41
SUMO1 P63165 3/20 0.41
SENP7 Q9BQF6 3/20 0.41
CYP2C9 P11712 1/20 0.41
MAPK1 P28482 1/20 0.41
DNASE1L3 Q13609 1/20 0.41
ALDH1A1 P00352 1/20 0.40
HIF1A Q16665 1/20 0.40
MEN1 O00255 1/20 0.38
THRB P10828 1/20 0.38

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
SCHEMBL16488673 0.94 CYP1A2 (0.46) CYP1A2PTPN11HPGDPTPN1PTPN6
SCHEMBL16488674 0.93 CYP1A2 (0.47) CYP1A2PTPN11HPGDENPP2SENP2
SCHEMBL16488662 0.93 CYP1A2 (0.52) CYP1A2HPGDENPP2SENP2SENP1
SCHEMBL16488671 0.92 ENPP2 (0.45) CYP1A2PTPN11HPGDENPP2SENP2
SCHEMBL16488652 0.91 ENPP2 (0.48) CYP1A2PTPN11HPGDPTPN1PTPN6
SCHEMBL16488678 0.91 CYP1A2 (0.43) CYP1A2PTPN11HPGDPTPN1PTPN6
SCHEMBL16488666 0.86 CYP1A2 (0.48) CYP1A2PTPN11HPGDPTPN1PTPN6
SCHEMBL16488672 0.86 CYP1A2 (0.51) CYP1A2HPGDENPP2SENP2SENP1
SCHEMBL16488663 0.85 CYP1A2 (0.50) CYP1A2HPGDENPP2SENP2SENP1
SCHEMBL16488679 0.83 CYP1A2 (0.41) CYP1A2PTPN11HPGDPTPN1PTPN6

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