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SCHEMBL13994986

SCHEMBL13994986

Nc1c(N=Nc2ccc3c(O)cc(S(=O)(=O)O)cc3c2S(=O)(=O)O)c(S(=O)(=O)O)cc2cc(SOOO)c(N=Nc3ccc4c(O)c(N=Nc5ccccc5S(=O)(=O)O)c(SOOO)cc4c3)c(O)c12

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 14/20 0.46
▸ CYP1A2 P05177 2/20 0.44
▸ CYP2C9 P11712 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ DNASE1L3 Q13609 1/20 0.42
▸ CD40 P25942 1/20 0.40
▸ CD40LG P29965 1/20 0.40
▸ FUT8 Q9BYC5 1/20 0.38
▸ PRMT1 Q99873 1/20 0.37

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
SCHEMBL14374885 0.91 ENPP2 (0.39) ENPP2CYP1A2CYP2C9MAPK1DNASE1L3
SCHEMBL13997421 0.90 ENPP2 (0.55) ENPP2CYP1A2CYP2C9MAPK1DNASE1L3
SCHEMBL13994977 0.88 ENPP2 (0.40) ENPP2CYP1A2CD40CD40LG
SCHEMBL12052419 0.86 ENPP2 (0.45) ENPP2CYP1A2CD40CD40LG
SCHEMBL1108411 0.86 ENPP2 (0.45) ENPP2CYP1A2CD40CD40LG
SCHEMBL13994999 0.83 MEN1 (0.41) ENPP2CYP1A2CD40CD40LGFUT8
SCHEMBL13656157 0.83 PHLPP2 (0.41) ENPP2CYP1A2MAPK1CD40CD40LG
SCHEMBL13994881 0.82 PHLPP2 (0.42) ENPP2CYP1A2CD40CD40LG
SCHEMBL13994875 0.82 ENPP2 (0.43) ENPP2CYP1A2CYP2C9MAPK1DNASE1L3
SCHEMBL14400902 0.82 CYP1A2 (0.49) ENPP2CYP1A2CYP2C9MAPK1DNASE1L3

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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