SCHEMBL15423393

SCHEMBL15423393

Nc1c(N=Nc2ccc3c(O)c(N=Nc4ccc(N=Nc5c(C(=O)O)nn(-c6ccc(S(=O)(=O)O)cc6)c5O)c(S(=O)(=O)O)c4)c(S(=O)(=O)O)cc3c2S(=O)(=O)O)cc(S(=O)(=O)O)c2ccc(N=Nc3ccc([N+](=O)[O-])cc3S(=O)(=O)O)c(O)c12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CD40 P25942 1/20 0.40
▸ CD40LG P29965 1/20 0.40
▸ CYP1A2 P05177 2/20 0.38
▸ ENPP2 Q13822 7/20 0.36
▸ CYP3A4 P08684 3/20 0.35
▸ HPGD P15428 3/20 0.35
▸ ALOX15 P16050 3/20 0.35
▸ HSD17B10 Q99714 3/20 0.35
▸ CYP2D6 P10635 2/20 0.35
▸ CYP2C9 P11712 2/20 0.35
▸ TSHR P16473 2/20 0.35
▸ CYP2C19 P33261 2/20 0.35
▸ ALOX12 P18054 1/20 0.35
▸ CSNK2A1 P68400 1/20 0.35
▸ PHLPP2 Q6ZVD8 1/20 0.33
▸ APEX1 P27695 2/20 0.32
▸ KDM4E B2RXH2 2/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ TP53 P04637 2/20 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
SCHEMBL13265358 0.97 CD40 (0.41) CD40CD40LGCYP1A2ENPP2CYP3A4
SCHEMBL13265405 0.97 CD40 (0.41) CD40CD40LGCYP1A2ENPP2CYP3A4
SCHEMBL12998863 0.96 CD40 (0.37) CD40CD40LGCYP1A2ENPP2CYP3A4
SCHEMBL15423398 0.96 CD40 (0.37) CD40CD40LGCYP1A2ENPP2CYP3A4
SCHEMBL15423399 0.96 CD40 (0.37) CD40CD40LGCYP1A2ENPP2CYP3A4
SCHEMBL15423392 0.96 CD40 (0.37) CD40CD40LGCYP1A2ENPP2CYP3A4
SCHEMBL13406835 0.95 CD40 (0.39) CD40CD40LGCYP1A2ENPP2CYP3A4
SCHEMBL15423397 0.94 MEN1 (0.40) CD40CD40LGCYP1A2ENPP2CYP3A4
SCHEMBL13264983 0.94 CD40 (0.38) CD40CD40LGCYP1A2ENPP2CYP3A4
SCHEMBL20682103 0.94 CD40 (0.38) CD40CD40LGCYP1A2ENPP2CYP3A4

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