SCHEMBL15424297

SCHEMBL15424297

Nc1c(N=Nc2ccc3c(O)c(N=Nc4ccc(N=Nc5c(C(=O)O)nn(-c6cc(C(=O)O)ccc6C(=O)O)c5O)c(S(=O)(=O)O)c4)c(S(=O)(=O)O)cc3c2S(=O)(=O)O)cc(S(=O)(=O)O)c2cc(S(=O)(=O)O)c(N=Nc3ccc([N+](=O)[O-])cc3S(=O)(=O)O)c(O)c12

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 4/20 0.37
▸ PHLPP2 Q6ZVD8 1/20 0.34
▸ CD40 P25942 1/20 0.33
▸ CD40LG P29965 1/20 0.33
▸ CYP1A2 P05177 2/20 0.33
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ ALOX12 P18054 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ CSNK2A1 P68400 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ NT5E P21589 1/20 0.30
▸ PRMT1 Q99873 1/20 0.30

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
SCHEMBL15423400 0.97 CYP1A2 (0.37) ENPP2PHLPP2CD40CD40LGCYP1A2
SCHEMBL13265395 0.90 ENPP2 (0.37) ENPP2PHLPP2CD40CD40LGCYP1A2
SCHEMBL14536709 0.90 ENPP2 (0.38) ENPP2PHLPP2CD40CD40LGCYP1A2
SCHEMBL14536613 0.89 ENPP2 (0.37) ENPP2PHLPP2CD40CD40LGCYP1A2
SCHEMBL13265405 0.89 CD40 (0.41) ENPP2PHLPP2CD40CD40LGCYP1A2
SCHEMBL13265358 0.89 CD40 (0.41) ENPP2PHLPP2CD40CD40LGCYP1A2
SCHEMBL16155158 0.88 ENPP2 (0.43) ENPP2PHLPP2CD40CD40LGCYP1A2
SCHEMBL20682103 0.88 CD40 (0.38) ENPP2PHLPP2CD40CD40LGCYP1A2
SCHEMBL13265195 0.87 CD40 (0.37) ENPP2PHLPP2CD40CD40LGCYP1A2
SCHEMBL15423395 0.87 CYP1A2 (0.38) ENPP2PHLPP2CD40CD40LGCYP1A2

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-8834619-B2 Ink composition, ink for inkjet recording and inkjet recording method FUJIFILM CORPORATION (JP) 2014-09-16 — — US disclosed
EP-2687565-A1 INK COMPOSITION, INKJET PRINTING INK, AND INKJET PRINTING METHOD FUJIFILM Corporation (JP) 2014-01-22 — — EP disclosed
US-20140013997-A1 INK COMPOSITION, INK FOR INKJET RECORDING AND INKJET RECORDING METHOD FUJIFILM CORPORATION (JP) 2014-01-16 — — US disclosed
Send feedback