SCHEMBL16488679

SCHEMBL16488679

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(S(=O)(=O)O)cc3[N+](=O)[O-])c(O)c12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 6/20 0.41
CYP2C9 P11712 2/20 0.41
MAPK1 P28482 1/20 0.41
DNASE1L3 Q13609 1/20 0.41
HPGD P15428 1/20 0.40
PTPN1 P18031 1/20 0.40
PTPN6 P29350 1/20 0.40
PTPN11 Q06124 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HIF1A Q16665 2/20 0.39
ALDH1A1 P00352 1/20 0.39
ENPP2 Q13822 5/20 0.39
PHLPP2 Q6ZVD8 2/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
THRB P10828 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
PRMT1 Q99873 1/20 0.37
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL16488668 0.91 ENPP2 (0.43) CYP1A2CYP2C9MAPK1DNASE1L3HPGD
SCHEMBL16488666 0.88 CYP1A2 (0.48) CYP1A2CYP2C9MAPK1DNASE1L3HPGD
SCHEMBL16488673 0.85 CYP1A2 (0.46) CYP1A2CYP2C9MAPK1DNASE1L3HPGD
SCHEMBL16488680 0.83 CYP1A2 (0.45) CYP1A2CYP2C9MAPK1DNASE1L3HPGD
SCHEMBL16488678 0.82 CYP1A2 (0.43) CYP1A2CYP2C9MAPK1DNASE1L3HPGD
SCHEMBL15268161 0.81 MEN1 (0.41) CYP1A2CYP2C9MAPK1DNASE1L3HPGD
SCHEMBL16062723 0.81 PRMT1 (0.43) CYP1A2CYP2C9MAPK1DNASE1L3HPGD
SCHEMBL16488674 0.79 CYP1A2 (0.47) CYP1A2CYP2C9MAPK1DNASE1L3HPGD
SCHEMBL17928889 0.78 ENPP2 (0.46) CYP1A2CYP2C9MAPK1DNASE1L3HPGD
SCHEMBL16488663 0.78 CYP1A2 (0.50) CYP1A2CYP2C9MAPK1DNASE1L3HPGD

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