SCHEMBL10050893

SCHEMBL10050893

Nc1c(/N=N/c2ccc3c(O)c(/N=N/c4cccc(S(=O)(=O)O)c4)c(S(=O)(=O)O)cc3c2S(=O)(=O)O)cc(S(=O)(=O)O)c2ccc(/N=N/c3ccc([N+](=O)[O-])cc3S(=O)(=O)O)c(O)c12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 7/20 0.46
CYP1A2 P05177 2/20 0.46
PTPN11 Q06124 1/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2D6 P10635 2/20 0.42
CYP2C9 P11712 2/20 0.42
HPGD P15428 2/20 0.42
ALOX15 P16050 2/20 0.42
TSHR P16473 2/20 0.42
CYP2C19 P33261 2/20 0.42
HSD17B10 Q99714 2/20 0.42
ALOX12 P18054 1/20 0.42
CSNK2A1 P68400 1/20 0.42
SENP3 Q9H4L4 4/20 0.40
SENP2 Q9HC62 4/20 0.40
SENP1 Q9P0U3 4/20 0.40
SUMO2 P61956 2/20 0.40
SUMO1 P63165 2/20 0.40
SENP7 Q9BQF6 2/20 0.40
CD40 P25942 1/20 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
SCHEMBL16153630 0.99 CYP1A2 (0.47) ENPP2CYP1A2PTPN11CYP3A4CYP2D6
SCHEMBL11926252 0.93 CYP1A2 (0.47) ENPP2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL18588619 0.91 ENPP2 (0.44) ENPP2CYP1A2PTPN11CYP3A4CYP2D6
SCHEMBL16153637 0.90 CYP1A2 (0.46) ENPP2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL6126419 0.89 CD40 (0.47) ENPP2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL13909453 0.89 CD40 (0.47) ENPP2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL14294060 0.89 ENPP2 (0.45) ENPP2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL14294346 0.89 ENPP2 (0.43) ENPP2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL13909427 0.89 ENPP2 (0.43) ENPP2CYP1A2PTPN11CYP3A4CYP2D6
SCHEMBL13928278 0.89 CYP1A2 (0.49) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120050382-A1 INK JET INK COMPOSITION, INK JET RECORDING METHOD, INK CARTRIDGE, RECORDING UNIT, AND INK JET RECORDING APPARATUS SONY CORPORATION (JP) 2012-03-01 US disclosed