SCHEMBL16488672

SCHEMBL16488672

Nc1c(N=Nc2ccc(N=Nc3ccccc3S(=O)(=O)O)c3ccc(N=Nc4ccccc4S(=O)(=O)O)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 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.51
HPGD P15428 4/20 0.46
CYP3A4 P08684 3/20 0.46
CYP2C9 P11712 3/20 0.46
ALOX15 P16050 3/20 0.46
HSD17B10 Q99714 3/20 0.46
ALOX12 P18054 2/20 0.46
CYP2D6 P10635 2/20 0.46
TSHR P16473 2/20 0.46
CYP2C19 P33261 2/20 0.46
CSNK2A1 P68400 1/20 0.46
ENPP2 Q13822 5/20 0.46
PRMT1 Q99873 1/20 0.45
MEN1 O00255 3/20 0.43
ALDH1A1 P00352 3/20 0.43
MAPT P10636 3/20 0.43
THRB P10828 3/20 0.43
RECQL P46063 3/20 0.43
BLM P54132 3/20 0.43
KMT2A Q03164 3/20 0.43

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
SCHEMBL16488667 0.95 CYP1A2 (0.46) CYP1A2HPGDCYP3A4CYP2C9ALOX15
SCHEMBL16488674 0.94 CYP1A2 (0.47) CYP1A2HPGDCYP3A4CYP2C9ALOX15
SCHEMBL16488671 0.90 ENPP2 (0.45) CYP1A2HPGDCYP3A4CYP2C9ALOX15
SCHEMBL16488665 0.88 CYP1A2 (0.42) CYP1A2HPGDCYP3A4CYP2C9ALOX15
SCHEMBL15281272 0.88 SENP2 (0.55) CYP1A2HPGDCYP3A4CYP2C9ALOX15
SCHEMBL16488678 0.87 CYP1A2 (0.43) CYP1A2HPGDCYP3A4CYP2C9ALOX15
SCHEMBL16488673 0.87 CYP1A2 (0.46) CYP1A2HPGDCYP3A4CYP2C9ALOX15
SCHEMBL16488680 0.86 CYP1A2 (0.45) CYP1A2HPGDCYP2C9ENPP2PRMT1
SCHEMBL16488668 0.86 ENPP2 (0.43) CYP1A2HPGDCYP3A4CYP2C9ALOX15
SCHEMBL16488662 0.85 CYP1A2 (0.52) CYP1A2HPGDCYP3A4CYP2C9ALOX15

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