SCHEMBL18633387

SCHEMBL18633387

COc1cc(N=Nc2cc3c(S(=O)(=O)O)cc(S(=O)(=O)O)cc3cc2S(=O)(=O)O)c(C)cc1N=Nc1ccc(Nc2nc(Cl)nc(Cl)n2)c2c(S(=O)(=O)O)cccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 6/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ THRB P10828 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ FUT8 Q9BYC5 1/20 0.42
▸ PRMT1 Q99873 2/20 0.36
▸ CARM1 Q86X55 1/20 0.35
▸ PHLPP2 Q6ZVD8 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ PTPN1 P18031 2/20 0.33
▸ MAPK1 P28482 2/20 0.33
▸ HIF1A Q16665 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ DNASE1L3 Q13609 1/20 0.33
▸ SNCA P37840 1/20 0.33
▸ ATIC P31939 1/20 0.33
▸ SUMO2 P61956 1/20 0.33
▸ SUMO1 P63165 1/20 0.33
▸ SENP7 Q9BQF6 1/20 0.33

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
SCHEMBL13723654 0.92 KMT2A (0.47) ENPP2MEN1THRBKMT2AFUT8
SCHEMBL12063080 0.90 ENPP2 (0.41) ENPP2MEN1THRBKMT2AFUT8
SCHEMBL12062857 0.87 ENPP2 (0.43) ENPP2MEN1THRBKMT2AFUT8
SCHEMBL18633556 0.86 ENPP2 (0.42) ENPP2MEN1THRBKMT2AFUT8
SCHEMBL13724001 0.85 MEN1 (0.53) ENPP2MEN1THRBKMT2AFUT8
SCHEMBL12054282 0.84 MAPT (0.39) ENPP2MEN1THRBKMT2AFUT8
SCHEMBL13881030 0.84 MEN1 (0.53) ENPP2MEN1THRBKMT2AFUT8
SCHEMBL18633526 0.84 MEN1 (0.54) ENPP2MEN1THRBKMT2AFUT8
SCHEMBL14494794 0.83 ENPP2 (0.40) ENPP2MEN1THRBKMT2AFUT8
SCHEMBL18633562 0.83 ENPP2 (0.49) ENPP2MEN1THRBKMT2APHLPP2

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
EP-2061844-B1 MIXTURES OF REACTIVE DYES AND THEIR USE IN A METHOD FOR TRICHROMATIC DYEING OR PRINTING HUNTSMAN ADVANCED MAT (SWITZERLAND) GMBH (CH) 2017-03-15 — — EP disclosed
Send feedback