SCHEMBL13994861

SCHEMBL13994861

COc1ccc(N=Nc2c(S(=O)(=O)O)cc3cc(N=Nc4c(S(=O)(=O)O)cc5cc(SOOO)c(N=Nc6ccc7cc(SOOO)c(N=Nc8ccc([N+](=O)[O-])cc8S(=O)(=O)O)c(O)c7c6)c(N)c5c4O)ccc3c2O)c(SOOO)c1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 13/20 0.49
▸ CD40 P25942 1/20 0.38
▸ CD40LG P29965 1/20 0.38
▸ PHLPP2 Q6ZVD8 1/20 0.37
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ ALOX12 P18054 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ CSNK2A1 P68400 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ PTPN11 Q06124 1/20 0.34
▸ APEX1 P27695 1/20 0.34

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
SCHEMBL13994856 0.93 ENPP2 (0.42) ENPP2CD40CD40LGPHLPP2PTPN11
SCHEMBL13239104 0.92 ENPP2 (0.47) ENPP2CD40CD40LGPHLPP2CYP1A2
SCHEMBL13994865 0.92 ENPP2 (0.51) ENPP2CD40CD40LGPHLPP2CYP1A2
SCHEMBL13236957 0.91 ENPP2 (0.53) ENPP2CD40CD40LGPHLPP2CYP1A2
SCHEMBL1108410 0.91 ENPP2 (0.53) ENPP2CD40CD40LGPHLPP2CYP1A2
SCHEMBL14374582 0.91 ENPP2 (0.43) ENPP2CD40CD40LGPHLPP2CYP1A2
SCHEMBL13387755 0.91 ENPP2 (0.46) ENPP2CD40CD40LGPHLPP2CYP1A2
SCHEMBL13994864 0.90 ENPP2 (0.42) ENPP2CD40CD40LGPHLPP2PTPN11
SCHEMBL13239098 0.90 ENPP2 (0.57) ENPP2CD40CD40LGPHLPP2CYP1A2
SCHEMBL13994860 0.90 ENPP2 (0.45) ENPP2CD40CD40LGPHLPP2CYP1A2

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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