SCHEMBL16153631

SCHEMBL16153631

COc1cc([N+](=O)[O-])ccc1N=Nc1ccc2c(S(=O)(=O)O)cc(N=Nc3ccc4c(O)c(N=Nc5ccc(N=Nc6ccc(S(=O)(=O)O)cc6)cc5)c(S(=O)(=O)O)cc4c3S(=O)(=O)O)c(N)c2c1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 4/20 0.50
▸ HPGD P15428 4/20 0.50
▸ HSD17B10 Q99714 4/20 0.50
▸ MEN1 O00255 4/20 0.50
▸ KMT2A Q03164 4/20 0.50
▸ KDM4E B2RXH2 3/20 0.50
▸ THRB P10828 3/20 0.50
▸ MAPK1 P28482 3/20 0.50
▸ RECQL P46063 3/20 0.50
▸ ALOX15 P16050 3/20 0.50
▸ ALDH1A1 P00352 3/20 0.50
▸ MAPT P10636 3/20 0.50
▸ APEX1 P27695 2/20 0.50
▸ TDP1 Q9NUW8 2/20 0.50
▸ TP53 P04637 2/20 0.50
▸ BRCA1 P38398 2/20 0.50
▸ BLM P54132 2/20 0.50
▸ SLC10A1 Q14973 1/20 0.50
▸ PHLPP2 Q6ZVD8 2/20 0.45
▸ CYP1A2 P05177 3/20 0.44

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
SCHEMBL16153640 0.95 CYP3A4 (0.46) CYP3A4HPGDHSD17B10MEN1KMT2A
SCHEMBL11926252 0.91 CYP1A2 (0.47) CYP3A4HPGDHSD17B10MEN1KMT2A
SCHEMBL10050895 0.89 CYP1A2 (0.44) CYP3A4HPGDHSD17B10MEN1KMT2A
SCHEMBL16153629 0.88 CYP1A2 (0.47) CYP3A4HPGDHSD17B10MEN1KMT2A
SCHEMBL17791860 0.88 CYP1A2 (0.40) CYP3A4HPGDHSD17B10MEN1KMT2A
SCHEMBL16153635 0.87 CYP1A2 (0.39) CYP3A4HPGDHSD17B10MEN1KMT2A
SCHEMBL16153648 0.87 CYP3A4 (0.42) CYP3A4HPGDHSD17B10MEN1KMT2A
SCHEMBL17119178 0.87 CYP1A2 (0.45) CYP3A4HPGDHSD17B10MEN1KMT2A
SCHEMBL15423397 0.87 MEN1 (0.40) CYP3A4HPGDHSD17B10MEN1KMT2A
SCHEMBL13909453 0.86 CD40 (0.47) CYP3A4HPGDHSD17B10MEN1KMT2A

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 6 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-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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