SCHEMBL16153635

SCHEMBL16153635

CCCOc1cc(N=Nc2ccc(S(=O)(=O)O)cc2)ccc1N=Nc1c(S(=O)(=O)O)cc2c(S(=O)(=O)O)c(N=Nc3cc(S(=O)(=O)O)c4ccc(N=Nc5ccc([N+](=O)[O-])cc5S(=O)(=O)O)c(O)c4c3N)ccc2c1O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 3/20 0.39
▸ CD40 P25942 1/20 0.39
▸ CD40LG P29965 1/20 0.39
▸ ENPP2 Q13822 7/20 0.38
▸ CYP3A4 P08684 4/20 0.38
▸ HPGD P15428 4/20 0.38
▸ HSD17B10 Q99714 4/20 0.38
▸ MEN1 O00255 4/20 0.38
▸ KMT2A Q03164 4/20 0.38
▸ ALOX15 P16050 3/20 0.38
▸ KDM4E B2RXH2 3/20 0.38
▸ THRB P10828 3/20 0.38
▸ MAPK1 P28482 3/20 0.38
▸ RECQL P46063 3/20 0.38
▸ MAPT P10636 3/20 0.38
▸ APEX1 P27695 3/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ TP53 P04637 2/20 0.38
▸ BRCA1 P38398 2/20 0.38
▸ BLM P54132 2/20 0.38

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
SCHEMBL16153643 0.91 CYP3A4 (0.39) CYP1A2CD40CD40LGENPP2CYP3A4
SCHEMBL11926252 0.90 CYP1A2 (0.47) CYP1A2CD40CD40LGENPP2CYP3A4
SCHEMBL13909429 0.90 ENPP2 (0.40) CYP1A2CD40CD40LGENPP2CYP3A4
SCHEMBL17791860 0.89 CYP1A2 (0.40) CYP1A2CD40CD40LGENPP2CYP3A4
SCHEMBL16153631 0.87 CYP3A4 (0.50) CYP1A2CD40CD40LGENPP2CYP3A4
SCHEMBL16153645 0.87 CYP3A4 (0.35) CYP1A2ENPP2CYP3A4HPGDHSD17B10
SCHEMBL13909453 0.86 CD40 (0.47) CYP1A2CD40CD40LGENPP2CYP3A4
SCHEMBL6126419 0.86 CD40 (0.47) CYP1A2CD40CD40LGENPP2CYP3A4
SCHEMBL16153630 0.86 CYP1A2 (0.47) CYP1A2CD40CD40LGENPP2CYP3A4
SCHEMBL11926254 0.86 ENPP2 (0.45) CYP1A2ENPP2CYP3A4HPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9587129-B2 Ink composition and ink set SEIKO EPSON CORPORATION (JP) 2017-03-07 — — US disclosed
US-9428661-B2 Aqueous ink composition, inkjet recording method, and colored material NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2016-08-30 — — US disclosed
US-20160160065-A1 INK COMPOSITION, INK JET RECORDING METHOD USING SAME, AND COLORED MATERIAL NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2016-06-09 — — US disclosed
US-20160152850-A1 AQUEOUS INK COMPOSITION, INKJET RECORDING METHOD, AND COLORED MATERIAL NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2016-06-02 — — US disclosed
US-20160137859-A1 INK COMPOSITION AND INK SET SEIKO EPSON CORPORATION (JP) 2016-05-19 — — US disclosed
US-20160032125-A1 INK SET SEIKO EPSON CORPORATION (JP) 2016-02-04 — — US disclosed
US-20140299020-A1 WATER-BASED BLACK INK COMPOSITION, INKJET RECORDING METHOD USING SAME, AND COLORED BODY NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2014-10-09 — — US disclosed
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