SCHEMBL16488663

SCHEMBL16488663

Nc1c(N=Nc2ccc(N=Nc3ccccc3S(=O)(=O)O)c3cccc(O)c23)cc(S(=O)(=O)O)c2cc(S(=O)(=O)O)c(N=Nc3cccc(S(=O)(=O)O)c3)c(O)c12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.50
MAPK1 P28482 2/20 0.50
CYP2C9 P11712 1/20 0.50
DNASE1L3 Q13609 1/20 0.50
SENP2 Q9HC62 5/20 0.49
SENP1 Q9P0U3 5/20 0.49
SENP3 Q9H4L4 3/20 0.49
SUMO2 P61956 3/20 0.49
SUMO1 P63165 3/20 0.49
SENP7 Q9BQF6 3/20 0.49
ENPP2 Q13822 1/20 0.48
KMT2A Q03164 3/20 0.44
TDP1 Q9NUW8 3/20 0.44
MAPT P10636 2/20 0.44
GAA P10253 1/20 0.44
ATIC P31939 1/20 0.44
ALDH1A1 P00352 2/20 0.43
GLO1 Q04760 2/20 0.43
MEN1 O00255 2/20 0.43
THRB P10828 2/20 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
SCHEMBL16488662 0.92 CYP1A2 (0.52) CYP1A2MAPK1CYP2C9DNASE1L3SENP2
SCHEMBL16488666 0.88 CYP1A2 (0.48) CYP1A2MAPK1CYP2C9DNASE1L3SENP2
SCHEMBL16488674 0.85 CYP1A2 (0.47) CYP1A2MAPK1CYP2C9DNASE1L3SENP2
SCHEMBL16488680 0.85 CYP1A2 (0.45) CYP1A2MAPK1CYP2C9DNASE1L3SENP2
SCHEMBL16488671 0.85 ENPP2 (0.45) CYP1A2MAPK1CYP2C9DNASE1L3SENP2
SCHEMBL16488641 0.84 CYP1A2 (0.56) CYP1A2MAPK1CYP2C9DNASE1L3SENP2
SCHEMBL16557874 0.81 SENP2 (0.57) CYP1A2MAPK1CYP2C9SENP2SENP1
SCHEMBL15268164 0.79 PRMT1 (0.51) CYP1A2MAPK1CYP2C9DNASE1L3SENP2
SCHEMBL14400902 0.79 CYP1A2 (0.49) CYP1A2MAPK1CYP2C9DNASE1L3ENPP2
SCHEMBL16488679 0.78 CYP1A2 (0.41) CYP1A2MAPK1CYP2C9DNASE1L3SENP2

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