SCHEMBL16488641

SCHEMBL16488641

Nc1c(N=Nc2ccc(N=Nc3cccc(S(=O)(=O)O)c3)c3cc(S(=O)(=O)O)cc(O)c23)cc(S(=O)(=O)O)c2ccc(N=Nc3ccc(N=Nc4ccccc4S(=O)(=O)O)c4cc(S(=O)(=O)O)cc(O)c34)c(O)c12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.56
SENP2 Q9HC62 7/20 0.49
SENP1 Q9P0U3 7/20 0.49
SENP3 Q9H4L4 5/20 0.49
SUMO2 P61956 4/20 0.49
SUMO1 P63165 4/20 0.49
SENP7 Q9BQF6 4/20 0.49
ATIC P31939 2/20 0.44
MAPK1 P28482 3/20 0.44
CYP2C9 P11712 2/20 0.44
DNASE1L3 Q13609 1/20 0.44
MEN1 O00255 3/20 0.43
ALDH1A1 P00352 3/20 0.43
MAPT P10636 3/20 0.43
THRB P10828 3/20 0.43
HPGD P15428 3/20 0.43
RECQL P46063 3/20 0.43
BLM P54132 3/20 0.43
KMT2A Q03164 3/20 0.43
APP P05067 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 0.86 CYP1A2 (0.52) CYP1A2SENP2SENP1SENP3SUMO2
SCHEMBL16488663 0.84 CYP1A2 (0.50) CYP1A2SENP2SENP1SENP3SUMO2
SCHEMBL3434042 0.82 SENP2 (0.54) CYP1A2SENP2SENP1SENP3SUMO2
SCHEMBL16488674 0.80 CYP1A2 (0.47) CYP1A2SENP2SENP1SENP3SUMO2
SCHEMBL16488680 0.80 CYP1A2 (0.45) CYP1A2SENP2SENP1SENP3SUMO2
SCHEMBL16153625 0.79 CYP1A2 (0.65) CYP1A2SENP2SENP1SENP3SUMO2
SCHEMBL16488671 0.79 ENPP2 (0.45) CYP1A2SENP2SENP1SENP3SUMO2
SCHEMBL16488648 0.79 ENPP2 (0.48) CYP1A2SENP2SENP1SENP3SUMO2
SCHEMBL15281254 0.79 CYP1A2 (0.40) CYP1A2SENP2SENP1SENP3SUMO2
SCHEMBL16557874 0.79 SENP2 (0.57) CYP1A2SENP2SENP1SENP3SUMO2

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