SCHEMBL15423331

SCHEMBL15423331

Nc1c(N=Nc2ccc3cc(S(=O)(=O)O)c(N=Nc4ccccc4)c(O)c3c2)c(S(=O)(=O)O)cc2ccc(N=Nc3ccc([N+](=O)[O-])cc3S(=O)(=O)O)c(O)c12

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 7/20 0.65
CYP1A2 P05177 3/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
HPGD P15428 1/20 0.49
ALOX15 P16050 1/20 0.49
TSHR P16473 1/20 0.49
ALOX12 P18054 1/20 0.49
CYP2C19 P33261 1/20 0.49
CSNK2A1 P68400 1/20 0.49
HSD17B10 Q99714 1/20 0.49
APEX1 P27695 1/20 0.45
CD40 P25942 1/20 0.44
CD40LG P29965 1/20 0.44
PRMT1 Q99873 2/20 0.42
SUMO2 P61956 2/20 0.40
SUMO1 P63165 2/20 0.40
SENP7 Q9BQF6 2/20 0.40
SENP2 Q9HC62 2/20 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
SCHEMBL15423334 0.96 ENPP2 (0.63) ENPP2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL13265360 0.91 ENPP2 (0.69) ENPP2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL13265359 0.91 ENPP2 (0.66) ENPP2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL16220635 0.90 ENPP2 (0.62) ENPP2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL15423335 0.90 ENPP2 (0.58) ENPP2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL12016079 0.90 ENPP2 (0.59) ENPP2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL15423337 0.89 ENPP2 (0.58) ENPP2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL15423333 0.89 ENPP2 (0.56) ENPP2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL15423332 0.87 ENPP2 (0.55) ENPP2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL3432632 0.87 ENPP2 (0.60) ENPP2CYP1A2CYP3A4CYP2D6CYP2C9

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-8834619-B2 Ink composition, ink for inkjet recording and inkjet recording method FUJIFILM CORPORATION (JP) 2014-09-16 US disclosed
US-20140013997-A1 INK COMPOSITION, INK FOR INKJET RECORDING AND INKJET RECORDING METHOD FUJIFILM CORPORATION (JP) 2014-01-16 US disclosed