SCHEMBL12466830

SCHEMBL12466830

Nc1ccc(N=Nc2ccc(N=Nc3c(S(=O)(=O)O)cc4cc(S(=O)(=O)O)c(N=Nc5ccc(N=Nc6ccc(N)cc6N)cc5)c(O)c4c3N)cc2)c(N)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 7/20 0.61
CYP1A2 P05177 3/20 0.54
MEN1 O00255 1/20 0.52
HTT P42858 1/20 0.52
KMT2A Q03164 1/20 0.52
THRB P10828 1/20 0.49
PRMT1 Q99873 1/20 0.47
PHLPP2 Q6ZVD8 3/20 0.47
MAPK1 P28482 2/20 0.43
CYP2C9 P11712 1/20 0.43
DNASE1L3 Q13609 1/20 0.43
SUMO2 P61956 1/20 0.43
SUMO1 P63165 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP2 Q9HC62 1/20 0.43
ALDH1A1 P00352 1/20 0.43
TP53 P04637 1/20 0.43
CYP3A4 P08684 1/20 0.43
TSHR P16473 1/20 0.43
SMN1; SMN2 Q16637 1/20 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
SCHEMBL17751330 1.00 ENPP2 (0.61) ENPP2CYP1A2MEN1HTTKMT2A
SCHEMBL29501271 0.99 ENPP2 (0.60) ENPP2CYP1A2MEN1HTTKMT2A
Chlorazol Black SCHEMBL31122165 0.93 ENPP2 (0.72) ENPP2CYP1A2MEN1HTTKMT2A
Chlorazol Black SCHEMBL29518699 0.93 ENPP2 (0.72) ENPP2CYP1A2MEN1HTTKMT2A
SCHEMBL12997327 0.93 ENPP2 (0.54) ENPP2CYP1A2MEN1HTTKMT2A
SCHEMBL19628859 0.92 ENPP2 (0.55) ENPP2CYP1A2MEN1HTTKMT2A
SCHEMBL12387824 0.92 ENPP2 (0.52) ENPP2CYP1A2MEN1HTTKMT2A
SCHEMBL12387775 0.92 ENPP2 (0.55) ENPP2CYP1A2MEN1HTTKMT2A
SCHEMBL18135234 0.91 ENPP2 (0.65) ENPP2CYP1A2MEN1HTTKMT2A
SCHEMBL11119702 0.89 ENPP2 (0.60) ENPP2CYP1A2MEN1HTTKMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190271801-A1 Dye-Based Polarizing Plate For Infrared Wavelength Range POLATECHNO CO., LTD. (JP) 2019-09-05 US disclosed
EP-2334281-B1 HAIR TREATMENT METHODS PERACHEM LTD (GB) 2014-12-17 EP disclosed
EP-2652538-A1 COLORED METALORGANIC FLUIDS FOR ELECTROWETTING, ELECTROFLUIDIC, AND ELECTROPHORETIC TECHNOLOGIES Sun Chemical Corporation (US) 2013-10-23 EP disclosed
WO-2012102802-A1 COLORED METALORGANIC FLUIDS FOR ELECTROWETTING, ELECTROFLUIDIC, AND ELECTROPHORETIC TECHNOLOGIES SUN CHEMICAL CORPORATION (US) 2012-08-02 WO disclosed