SCHEMBL13909431

SCHEMBL13909431

Cc1cc(N=Nc2c(S(=O)(=O)O)cc3c(S(=O)(=O)O)c(N=Nc4cc(S(=O)(=O)O)c5cc(S(=O)(=O)O)c(N=Nc6ccc([N+](=O)[O-])cc6S(=O)(=O)O)c(O)c5c4N)ccc3c2O)c(OCCCS(=O)(=O)O)cc1N=Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PHLPP2 Q6ZVD8 3/20 0.35
▸ MEN1 O00255 4/20 0.35
▸ KMT2A Q03164 4/20 0.35
▸ CYP3A4 P08684 3/20 0.35
▸ HPGD P15428 3/20 0.35
▸ ALOX15 P16050 3/20 0.35
▸ HSD17B10 Q99714 3/20 0.35
▸ MAPT P10636 3/20 0.35
▸ ALDH1A1 P00352 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
▸ KDM4E B2RXH2 2/20 0.35
▸ TP53 P04637 2/20 0.35
▸ THRB P10828 2/20 0.35
▸ MAPK1 P28482 2/20 0.35
▸ BRCA1 P38398 2/20 0.35
▸ RECQL P46063 2/20 0.35
▸ BLM P54132 2/20 0.35

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
SCHEMBL10284255 0.94 PHLPP2 (0.35) PHLPP2MEN1KMT2ACYP3A4HPGD
SCHEMBL13909676 0.94 ENPP2 (0.35) PHLPP2MEN1KMT2ACYP3A4HPGD
SCHEMBL13852304 0.94 CYP3A4 (0.36) PHLPP2MEN1KMT2ACYP3A4HPGD
SCHEMBL6125335 0.94 ENPP2 (0.40) PHLPP2MEN1KMT2ACYP3A4HPGD
SCHEMBL13852303 0.94 ENPP2 (0.40) PHLPP2MEN1KMT2ACYP3A4HPGD
SCHEMBL13852307 0.94 ENPP2 (0.38) PHLPP2MEN1KMT2ACYP3A4HPGD
SCHEMBL6126462 0.94 ENPP2 (0.38) PHLPP2MEN1KMT2ACYP3A4HPGD
SCHEMBL13211647 0.93 PHLPP2 (0.35) PHLPP2MEN1KMT2ACYP3A4HPGD
SCHEMBL6126122 0.93 ENPP2 (0.45) PHLPP2MEN1KMT2ACYP3A4HPGD
SCHEMBL10284259 0.93 ENPP2 (0.45) PHLPP2MEN1KMT2ACYP3A4HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10190009-B2 Ink composition, ink jet recording method using same, and colored material NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2019-01-29 — — US disclosed
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-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
US-7503967-B2 Azo compound, ink composition and colored article NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2009-03-17 — — US disclosed
US-20080193660-A1 Azo Compound, Ink Composition and Colored Article NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2008-08-14 — — US disclosed
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