SCHEMBL13997566

SCHEMBL13997566

Cc1ccc(S(=O)(=O)Oc2cc(S(=O)(=O)O)cc3c(S(=O)(=O)O)c(N=Nc4c(S(=O)(=O)O)cc5cc(S(=O)(=O)O)c(N=Nc6ccc7c(O)c(N=Nc8ccccc8S(=O)(=O)O)c(S(=O)(=O)O)cc7c6)c(O)c5c4N)ccc23)cc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 14/20 0.47
▸ CYP1A2 P05177 3/20 0.42
▸ CD40 P25942 1/20 0.42
▸ CD40LG P29965 1/20 0.42
▸ PHLPP2 Q6ZVD8 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ CYP2C9 P11712 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ DNASE1L3 Q13609 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
SCHEMBL14400901 0.93 ENPP2 (0.44) ENPP2CYP1A2CD40CD40LGPHLPP2
SCHEMBL13994977 0.92 ENPP2 (0.40) ENPP2CYP1A2CD40CD40LGPHLPP2
SCHEMBL13997421 0.86 ENPP2 (0.55) ENPP2CYP1A2CD40CD40LGPHLPP2
SCHEMBL13997571 0.84 CYP1A2 (0.49) ENPP2CYP1A2PHLPP2MEN1HTT
SCHEMBL14374883 0.84 ENPP2 (0.36) ENPP2CYP1A2CD40CD40LGPHLPP2
SCHEMBL14400843 0.82 CYP1A2 (0.44) ENPP2CYP1A2CD40CD40LGPHLPP2
SCHEMBL14400964 0.81 CYP1A2 (0.43) ENPP2CYP1A2PHLPP2MEN1HTT
SCHEMBL1176685 0.80 ENPP2 (0.52) ENPP2CYP1A2CD40CD40LGPHLPP2
SCHEMBL13997570 0.80 CD40 (0.44) ENPP2CYP1A2CD40CD40LGPHLPP2
SCHEMBL13994970 0.79 CYP1A2 (0.42) ENPP2CYP1A2PHLPP2MEN1HTT

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-7462228-B2 Water-base black ink composition and colored product NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2008-12-09 — — US disclosed
EP-1602695-B1 WATER-BASE BLACK INK COMPOSITION AND COLORED MATERIAL NIPPON KAYAKU KK (JP) 2008-04-23 — — EP disclosed
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