SCHEMBL13239152

SCHEMBL13239152

Nc1c(N=Nc2ccc3c(O)c(N=Nc4ccc([N+](=O)[O-])cc4SOOO)c(S(=O)(=O)O)cc3c2)c(S(=O)(=O)O)cc2cc(SOOO)c(N=Nc3ccc4c(O)c(N=Nc5ccc(CO)cc5S(=O)(=O)O)c(SOOO)cc4c3)c(O)c12

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 12/20 0.49
▸ CD40 P25942 1/20 0.39
▸ CD40LG P29965 1/20 0.39
▸ 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
▸ THRB P10828 1/20 0.35
▸ PHLPP2 Q6ZVD8 1/20 0.34
▸ PRMT1 Q99873 1/20 0.33
▸ PTPN11 Q06124 1/20 0.32

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
SCHEMBL13236957 0.94 ENPP2 (0.53) ENPP2CD40CD40LGCYP1A2CYP3A4
SCHEMBL1108410 0.94 ENPP2 (0.53) ENPP2CD40CD40LGCYP1A2CYP3A4
SCHEMBL13994865 0.93 ENPP2 (0.51) ENPP2CD40CD40LGCYP1A2CYP3A4
SCHEMBL12052421 0.91 ENPP2 (0.50) ENPP2CD40CD40LGCYP1A2CYP3A4
SCHEMBL13679646 0.90 ENPP2 (0.50) ENPP2CD40CD40LGCYP1A2CYP3A4
SCHEMBL13239150 0.90 ENPP2 (0.49) ENPP2CD40CD40LGCYP1A2CYP3A4
SCHEMBL13239098 0.89 ENPP2 (0.57) ENPP2CD40CD40LGCYP1A2CYP3A4
SCHEMBL13239155 0.88 ENPP2 (0.41) ENPP2CD40CD40LGTHRBPHLPP2
SCHEMBL13239103 0.88 ENPP2 (0.51) ENPP2CD40CD40LGCYP1A2CYP3A4
SCHEMBL12878723 0.88 ENPP2 (0.47) ENPP2CD40CD40LGCYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7758683-B2 Ink composition, ink set and recording method FUJIFILM CORPORATION (JP) 2010-07-20 — — US disclosed
US-7704311-B2 Ink composition, manufacturing method of ink, ink set, and recording method FUJIFILM CORPORATION (JP) 2010-04-27 — — US disclosed
US-20070109376-A1 Ink composition, ink set and recording method FUJIFILM CORPORATION 2007-05-17 — — US disclosed
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