SCHEMBL16488665

SCHEMBL16488665

Nc1c(N=Nc2ccc(N=Nc3ccccc3S(=O)(=O)O)c3ccc(N=Nc4cc(OC=O)cc(C(=O)O)c4)c(O)c23)cc(S(=O)(=O)O)c2cc(S(=O)(=O)O)c(N=Nc3ccc([N+](=O)[O-])cc3)c(O)c12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.42
ENPP2 Q13822 6/20 0.39
HPGD P15428 4/20 0.37
CYP3A4 P08684 3/20 0.37
ALOX15 P16050 3/20 0.37
HSD17B10 Q99714 3/20 0.37
ALOX12 P18054 2/20 0.37
CYP2D6 P10635 2/20 0.37
CYP2C9 P11712 2/20 0.37
TSHR P16473 2/20 0.37
CYP2C19 P33261 2/20 0.37
CSNK2A1 P68400 1/20 0.37
PRMT1 Q99873 1/20 0.37
SLC7A11 Q9UPY5 3/20 0.36
SENP2 Q9HC62 3/20 0.34
SENP1 Q9P0U3 3/20 0.34
SUMO2 P61956 2/20 0.34
SUMO1 P63165 2/20 0.34
SENP7 Q9BQF6 2/20 0.34
MEN1 O00255 3/20 0.34

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
SCHEMBL16488672 0.88 CYP1A2 (0.51) CYP1A2ENPP2HPGDCYP3A4ALOX15
SCHEMBL16488667 0.86 CYP1A2 (0.46) CYP1A2ENPP2HPGDCYP3A4ALOX15
SCHEMBL16488674 0.83 CYP1A2 (0.47) CYP1A2ENPP2HPGDCYP3A4ALOX15
SCHEMBL16062685 0.82 ENPP2 (0.44) CYP1A2ENPP2HPGDCYP3A4ALOX15
SCHEMBL16488668 0.80 ENPP2 (0.43) CYP1A2ENPP2HPGDCYP3A4ALOX15
SCHEMBL16488671 0.79 ENPP2 (0.45) CYP1A2ENPP2HPGDCYP3A4ALOX15
SCHEMBL16488639 0.79 SENP2 (0.42) CYP1A2ENPP2CYP2C9SENP2SENP1
SCHEMBL15281272 0.79 SENP2 (0.55) CYP1A2ENPP2HPGDCYP3A4ALOX15
SCHEMBL16153632 0.79 CYP1A2 (0.45) CYP1A2ENPP2HPGDCYP3A4ALOX15
SCHEMBL14294064 0.78 ENPP2 (0.42) CYP1A2ENPP2HPGDCYP3A4ALOX15

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