SCHEMBL14647838

SCHEMBL14647838

CNc1ccc2c(O)c(/N=N\c3cc(C)c(N=Nc4cc(S(=O)(=O)O)c5cccc(S(=O)(=O)O)c5c4)cc3OC)c(S(=O)(=O)O)cc2c1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 11/20 0.58
▸ PHLPP2 Q6ZVD8 1/20 0.49
▸ ATIC P31939 1/20 0.47
▸ SUMO2 P61956 1/20 0.47
▸ SUMO1 P63165 1/20 0.47
▸ SENP7 Q9BQF6 1/20 0.47
▸ SENP2 Q9HC62 1/20 0.47
▸ CD40 P25942 1/20 0.46
▸ CD40LG P29965 1/20 0.46
▸ PRMT1 Q99873 2/20 0.44
▸ PRMT3 O60678 1/20 0.44
▸ EP300 Q09472 1/20 0.44
▸ PRMT6 Q96LA8 1/20 0.44
▸ PTPN1 P18031 2/20 0.40
▸ CARM1 Q86X55 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
SCHEMBL19234840 0.92 ENPP2 (0.70) ENPP2PHLPP2ATICSUMO2SUMO1
SCHEMBL18905226 0.92 ENPP2 (0.70) ENPP2PHLPP2ATICSUMO2SUMO1
SCHEMBL14546138 0.92 ENPP2 (0.70) ENPP2PHLPP2ATICSUMO2SUMO1
SCHEMBL17545728 0.91 ENPP2 (0.63) ENPP2PHLPP2ATICSUMO2SUMO1
SCHEMBL15628312 0.88 ENPP2 (0.60) ENPP2PHLPP2ATICSUMO2SUMO1
SCHEMBL14647841 0.87 ENPP2 (0.64) ENPP2PHLPP2CD40CD40LGPRMT1
SCHEMBL20746886 0.87 ENPP2 (0.58) ENPP2PHLPP2ATICSUMO2SUMO1
SCHEMBL17545777 0.87 ENPP2 (0.64) ENPP2PHLPP2ATICSUMO2SUMO1
SCHEMBL19235045 0.87 ENPP2 (0.64) ENPP2PHLPP2ATICSUMO2SUMO1
SCHEMBL17284051 0.87 ENPP2 (0.58) ENPP2PHLPP2ATICSUMO2SUMO1

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
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