SCHEMBL13994953

SCHEMBL13994953

CN=Nc1c(S(=O)(=O)O)cc2cc(SOOO)c(N=Nc3cc4c(O)c(N=Nc5ccc(OC)cc5S(=O)(=O)O)c(SOOO)cc4cc3S(=O)(=O)O)c(N)c2c1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 10/20 0.41
▸ PHLPP2 Q6ZVD8 2/20 0.39
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ HTT P42858 1/20 0.37
▸ CYP1A2 P05177 2/20 0.35
▸ CD40 P25942 1/20 0.34
▸ CD40LG P29965 1/20 0.34
▸ MAPK1 P28482 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
▸ THRB P10828 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

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
SCHEMBL13994985 0.94 ENPP2 (0.42) ENPP2PHLPP2MEN1KMT2AHTT
SCHEMBL13994982 0.94 ENPP2 (0.42) ENPP2PHLPP2MEN1KMT2AHTT
SCHEMBL13994954 0.92 PHLPP2 (0.40) ENPP2PHLPP2MEN1KMT2AHTT
SCHEMBL13994864 0.91 ENPP2 (0.42) ENPP2PHLPP2MEN1KMT2AHTT
SCHEMBL14220339 0.89 ENPP2 (0.48) ENPP2PHLPP2MEN1KMT2AHTT
SCHEMBL13239158 0.88 ENPP2 (0.43) ENPP2PHLPP2MEN1KMT2AHTT
SCHEMBL13994856 0.88 ENPP2 (0.42) ENPP2PHLPP2MEN1KMT2AHTT
SCHEMBL14374736 0.86 PHLPP2 (0.41) ENPP2PHLPP2MEN1KMT2AHTT
SCHEMBL13994866 0.86 ENPP2 (0.43) ENPP2PHLPP2CYP1A2CD40CD40LG
SCHEMBL13994859 0.85 ENPP2 (0.39) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7462228-B2 Water-base black ink composition and colored product NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2008-12-09 — — US disclosed
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