SCHEMBL16488668

SCHEMBL16488668

Nc1c(N=Nc2ccc(N=Nc3ccccc3S(=O)(=O)O)c3cccc(OS(=O)(=O)c4ccccc4)c23)cc(S(=O)(=O)O)c2cc(S(=O)(=O)O)c(N=Nc3ccc([N+](=O)[O-])cc3)c(O)c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 5/20 0.43
PRMT1 Q99873 1/20 0.41
CYP1A2 P05177 5/20 0.40
SLC7A11 Q9UPY5 3/20 0.40
SENP2 Q9HC62 2/20 0.40
SENP1 Q9P0U3 2/20 0.40
SUMO2 P61956 1/20 0.40
SUMO1 P63165 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
HPGD P15428 2/20 0.39
ALOX12 P18054 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
CYP2C19 P33261 1/20 0.39
CSNK2A1 P68400 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ALDH1A1 P00352 2/20 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
SCHEMBL16488679 0.91 CYP1A2 (0.41) ENPP2PRMT1CYP1A2SLC7A11SENP2
SCHEMBL16488672 0.86 CYP1A2 (0.51) ENPP2PRMT1CYP1A2SLC7A11SENP2
SCHEMBL16488674 0.85 CYP1A2 (0.47) ENPP2PRMT1CYP1A2SENP2SENP1
SCHEMBL15281272 0.82 SENP2 (0.55) ENPP2PRMT1CYP1A2SLC7A11SENP2
SCHEMBL16488671 0.82 ENPP2 (0.45) ENPP2PRMT1CYP1A2SENP2SENP1
SCHEMBL16488667 0.81 CYP1A2 (0.46) ENPP2PRMT1CYP1A2SLC7A11SENP2
SCHEMBL16488665 0.80 CYP1A2 (0.42) ENPP2PRMT1CYP1A2SLC7A11SENP2
SCHEMBL16488666 0.79 CYP1A2 (0.48) ENPP2PRMT1CYP1A2SENP2SENP1
SCHEMBL16488680 0.78 CYP1A2 (0.45) ENPP2PRMT1CYP1A2SENP2SENP1
SCHEMBL16488663 0.78 CYP1A2 (0.50) ENPP2CYP1A2SLC7A11SENP2SENP1

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