SCHEMBL14647841

SCHEMBL14647841

CNc1ccc2c(O)c(/N=N\c3cc(C)c(/N=N\c4ccc5cc(S(=O)(=O)O)cc(S(=O)(=O)O)c5c4)cc3OC)c(S(=O)(=O)O)cc2c1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 11/20 0.64
▸ CD40 P25942 1/20 0.51
▸ CD40LG P29965 1/20 0.51
▸ PHLPP2 Q6ZVD8 1/20 0.45
▸ PTPN1 P18031 2/20 0.45
▸ PRMT3 O60678 1/20 0.44
▸ EP300 Q09472 1/20 0.44
▸ PRMT6 Q96LA8 1/20 0.44
▸ PRMT1 Q99873 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.43
▸ HIF1A Q16665 1/20 0.43
▸ MEN1 O00255 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ KMT2A Q03164 1/20 0.42

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
SCHEMBL12994727 0.92 ENPP2 (0.62) ENPP2CD40CD40LGPHLPP2PTPN1
SCHEMBL14394240 0.91 ENPP2 (0.62) ENPP2CD40CD40LGPHLPP2PTPN1
SCHEMBL18910727 0.91 ENPP2 (0.78) ENPP2CD40CD40LGPHLPP2PTPN1
SCHEMBL17545760 0.91 ENPP2 (0.78) ENPP2CD40CD40LGPHLPP2PTPN1
SCHEMBL14394262 0.89 ENPP2 (0.59) ENPP2CD40CD40LGPHLPP2PTPN1
SCHEMBL14394263 0.89 ENPP2 (0.59) ENPP2CD40CD40LGPHLPP2PTPN1
SCHEMBL17518426 0.88 ENPP2 (0.66) ENPP2CD40CD40LGPHLPP2PTPN1
SCHEMBL14647838 0.87 ENPP2 (0.58) ENPP2CD40CD40LGPHLPP2PTPN1
SCHEMBL19235099 0.87 ENPP2 (0.73) ENPP2CD40CD40LGPHLPP2PRMT3
SCHEMBL20735285 0.86 ENPP2 (0.66) ENPP2CD40CD40LGPHLPP2PTPN1

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-1792001-B1 SHADING PROCESS BASF SE (DE) 2013-01-23 — — EP disclosed
Send feedback