SCHEMBL16488673

SCHEMBL16488673

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=Nc3ccc(S(=O)(=O)O)cc3[N+](=O)[O-])c(O)c12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 7/20 0.46
HPGD P15428 4/20 0.46
PTPN11 Q06124 3/20 0.46
PTPN1 P18031 1/20 0.46
PTPN6 P29350 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CYP2C9 P11712 4/20 0.42
MAPK1 P28482 3/20 0.42
DNASE1L3 Q13609 1/20 0.42
MEN1 O00255 3/20 0.41
THRB P10828 3/20 0.41
KMT2A Q03164 3/20 0.41
ALDH1A1 P00352 3/20 0.41
HIF1A Q16665 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
HSD17B10 Q99714 4/20 0.40
TSHR P16473 3/20 0.40
CYP2C19 P33261 3/20 0.40
CYP3A4 P08684 3/20 0.40
ALOX15 P16050 3/20 0.40

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
SCHEMBL16488678 0.95 CYP1A2 (0.43) CYP1A2HPGDPTPN11PTPN1PTPN6
SCHEMBL16488680 0.94 CYP1A2 (0.45) CYP1A2HPGDPTPN11PTPN1PTPN6
SCHEMBL16488666 0.91 CYP1A2 (0.48) CYP1A2HPGDPTPN11PTPN1PTPN6
SCHEMBL15268161 0.88 MEN1 (0.41) CYP1A2HPGDPTPN11PTPN1PTPN6
SCHEMBL16488672 0.87 CYP1A2 (0.51) CYP1A2HPGDCYP2C9MAPK1DNASE1L3
SCHEMBL16488674 0.86 CYP1A2 (0.47) CYP1A2HPGDPTPN11CYP2C9MAPK1
SCHEMBL16488671 0.86 ENPP2 (0.45) CYP1A2HPGDPTPN11CYP2C9MAPK1
SCHEMBL16062723 0.86 PRMT1 (0.43) CYP1A2HPGDPTPN11PTPN1PTPN6
SCHEMBL16488662 0.85 CYP1A2 (0.52) CYP1A2HPGDCYP2C9MAPK1DNASE1L3
SCHEMBL16488679 0.85 CYP1A2 (0.41) CYP1A2HPGDPTPN11PTPN1PTPN6

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