SCHEMBL18218227

SCHEMBL18218227

COc1cc(N=Nc2cc(S(=O)(=O)O)ccc2S(=O)(=O)O)c(NC(C)=O)cc1N=Nc1c(S(=O)(=O)O)cc2cc(S(=O)(=O)O)cc(C)c2c1O

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 10/20 0.52
▸ PRMT1 Q99873 2/20 0.48
▸ MEN1 O00255 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ CYP1A2 P05177 2/20 0.43
▸ CA2 P00918 1/20 0.43
▸ CA3 P07451 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ DNASE1L3 Q13609 1/20 0.43
▸ FUT8 Q9BYC5 1/20 0.42
▸ PHLPP2 Q6ZVD8 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
SCHEMBL18218143 0.82 ENPP2 (0.46) ENPP2PRMT1MEN1HTTKMT2A
SCHEMBL10864673 0.81 ENPP2 (0.55) ENPP2PRMT1MEN1HTTKMT2A
SCHEMBL10448693 0.81 ENPP2 (0.61) ENPP2PRMT1MEN1HTTKMT2A
SCHEMBL9174348 0.81 ENPP2 (0.61) ENPP2PRMT1MEN1HTTKMT2A
SCHEMBL7591235 0.81 ENPP2 (0.60) ENPP2PRMT1MEN1HTTKMT2A
SCHEMBL7591226 0.81 ENPP2 (0.60) ENPP2PRMT1MEN1HTTKMT2A
SCHEMBL9626844 0.81 ENPP2 (0.70) ENPP2PRMT1MEN1HTTKMT2A
SCHEMBL7591240 0.81 ENPP2 (0.70) ENPP2PRMT1MEN1HTTKMT2A
SCHEMBL13880702 0.79 ENPP2 (0.51) ENPP2PRMT1MEN1HTTKMT2A
SCHEMBL14400292 0.78 PRMT1 (0.52) ENPP2PRMT1MEN1HTTKMT2A

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-3091056-A1 HIGH FIXATION INK COMPOSITION FOR DIGITAL TEXTILE PRINTING Everlight Chemical Industrial Corporation (TW) 2016-11-09 — — EP disclosed
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