SCHEMBL17119178

SCHEMBL17119178

Nc1c(N=Nc2ccc3c(O)c(N=Nc4ccc(N=Nc5ccc(S(=O)(=O)O)cc5)cc4)c(S(=O)(=O)O)cc3c2S(=O)(=O)O)cc(S(=O)(=O)O)c2ccc(N=Nc3cc([N+](=O)[O-])ccc3C(=O)O)c(O)c12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.45
▸ ENPP2 Q13822 5/20 0.41
▸ HPGD P15428 4/20 0.40
▸ CYP3A4 P08684 3/20 0.40
▸ ALOX15 P16050 3/20 0.40
▸ HSD17B10 Q99714 3/20 0.40
▸ CYP2D6 P10635 2/20 0.40
▸ CYP2C9 P11712 2/20 0.40
▸ TSHR P16473 2/20 0.40
▸ CYP2C19 P33261 2/20 0.40
▸ ALOX12 P18054 2/20 0.40
▸ CSNK2A1 P68400 1/20 0.40
▸ CD40 P25942 1/20 0.40
▸ CD40LG P29965 1/20 0.40
▸ PHLPP2 Q6ZVD8 3/20 0.37
▸ MEN1 O00255 3/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ MAPT P10636 3/20 0.37
▸ THRB P10828 3/20 0.37
▸ RECQL P46063 3/20 0.37

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
SCHEMBL16153629 0.96 CYP1A2 (0.47) CYP1A2ENPP2HPGDCYP3A4ALOX15
SCHEMBL13909463 0.94 CD40 (0.45) CYP1A2ENPP2HPGDCYP3A4ALOX15
SCHEMBL18726447 0.91 CD40 (0.41) CYP1A2ENPP2HPGDCYP3A4ALOX15
SCHEMBL11926252 0.91 CYP1A2 (0.47) CYP1A2ENPP2HPGDCYP3A4ALOX15
SCHEMBL17794725 0.89 CD40 (0.41) CYP1A2ENPP2HPGDCYP3A4ALOX15
SCHEMBL13909675 0.89 CD40 (0.46) CYP1A2ENPP2HPGDCYP3A4ALOX15
SCHEMBL17813887 0.89 CD40 (0.44) CYP1A2ENPP2HPGDCYP3A4ALOX15
SCHEMBL14533768 0.88 CYP1A2 (0.40) CYP1A2ENPP2HPGDCYP3A4ALOX15
SCHEMBL16153647 0.88 CYP1A2 (0.47) CYP1A2ENPP2HPGDCYP3A4ALOX15
SCHEMBL13928705 0.88 CYP3A4 (0.39) CYP1A2ENPP2HPGDCYP3A4ALOX15

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-9453138-B2 Ink, ink cartridge, and ink jet recording method CANON KABUSHIKI KAISHA (JP) 2016-09-27 — — 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-20150267065-A1 INK, INK CARTRIDGE, AND INK JET RECORDING METHOD CANON KABUSHIKI KAISHA (JP) 2015-09-24 — — US disclosed
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