SCHEMBL1108407

SCHEMBL1108407

COc1ccc(N=Nc2c(S(=O)(=O)O)cc3c(S(=O)(=O)O)c(N=Nc4c(S(=O)(=O)O)cc5cc(SOOO)c(N=Nc6ccc7c(O)c(N=Nc8ccc(OC)cc8S(=O)(=O)O)c(SOOO)cc7c6S(=O)(=O)O)c(O)c5c4N)ccc3c2O)c(SOOO)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 10/20 0.40
▸ PHLPP2 Q6ZVD8 2/20 0.39
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ HTT P42858 1/20 0.36
▸ CYP1A2 P05177 2/20 0.34
▸ MAPK1 P28482 2/20 0.33
▸ THRB P10828 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ APEX1 P27695 1/20 0.33
▸ BRCA1 P38398 1/20 0.33
▸ RECQL P46063 1/20 0.33
▸ BLM P54132 1/20 0.33
▸ SLC10A1 Q14973 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
SCHEMBL12052423 0.99 ENPP2 (0.41) ENPP2PHLPP2MEN1KMT2AHTT
SCHEMBL13994859 0.99 ENPP2 (0.39) ENPP2PHLPP2MEN1KMT2AHTT
SCHEMBL13656158 0.95 PHLPP2 (0.39) ENPP2PHLPP2MEN1KMT2AHTT
SCHEMBL13994880 0.94 PHLPP2 (0.40) ENPP2PHLPP2MEN1KMT2AHTT
SCHEMBL12925211 0.92 PHLPP2 (0.37) ENPP2PHLPP2MEN1KMT2AHTT
SCHEMBL13239105 0.92 ENPP2 (0.44) ENPP2PHLPP2MEN1KMT2AHTT
SCHEMBL14507135 0.91 PHLPP2 (0.36) ENPP2PHLPP2MEN1KMT2AHTT
SCHEMBL1108411 0.91 ENPP2 (0.45) ENPP2PHLPP2CYP1A2CD40CD40LG
SCHEMBL12052419 0.91 ENPP2 (0.45) ENPP2PHLPP2CYP1A2CD40CD40LG
SCHEMBL14374672 0.91 PHLPP2 (0.40) ENPP2PHLPP2MEN1KMT2AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8152273-B2 Waste ink absorbent member, and waste ink container and ink jet recording apparatus equipped with waste ink absorbent member CANON KABUSHIKI KAISHA (JP) 2012-04-10 — — US disclosed
US-20090231388-A1 WASTE INK ABSORBENT MEMBER, AND WASTE INK CONTAINER AND INK JET RECORDING APPARATUS EQUIPPED WITH WASTE INK ABSORBENT MEMBER CANON KABUSHIKI KAISHA (JP) 2009-09-17 — — US disclosed
Send feedback