SCHEMBL9621749

SCHEMBL9621749

O=[N+]([O-])c1c[c]c(O)c(S(=O)(=O)O)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NT5E P21589 2/20 0.43
ALDH1A1 P00352 6/20 0.37
ALOX15 P16050 4/20 0.37
CYP2C19 P33261 2/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2C9 P11712 2/20 0.37
HIF1A Q16665 2/20 0.37
HSD17B10 Q99714 2/20 0.37
ATIC P31939 1/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
HTT P42858 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
GALR3 O60755 1/20 0.37
TSHR P16473 3/20 0.37
NSD2 O96028 1/20 0.37
GAA P10253 1/20 0.37
PLCG1 P19174 1/20 0.37
DNMT1 P26358 1/20 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
SCHEMBL6633598 0.75 LMNA (0.37) ALDH1A1HIF1AHSD17B10LMNAHPGD
SCHEMBL9621818 0.73 NSD2 (0.37) ALDH1A1HSD17B10NSD2CASP6TDP1
SCHEMBL6045077 0.73 GPR35 (0.52) ALDH1A1ALOX15CYP1A2CYP2C9HIF1A
SCHEMBL3917232 0.73 LMNA (0.37) NT5EALDH1A1CYP2C19CYP2C9HSD17B10
SCHEMBL29761998 0.73 NT5E (0.59) NT5EALDH1A1ALOX15CYP2C19L3MBTL1
SCHEMBL5446804 0.73 NT5E (0.59) NT5EALDH1A1ALOX15CYP2C19L3MBTL1
SCHEMBL6646592 0.72 ALDH1A1 (0.52) ALDH1A1ALOX15HSD17B10MEN1KMT2A
SCHEMBL177959 0.71 GPR35 (0.61) NT5EALDH1A1ALOX15CYP1A2CYP2C9
SCHEMBL11648713 0.71 GPR35 (0.61) NT5EALDH1A1ALOX15CYP1A2CYP2C9
SCHEMBL6398137 0.71 NT5E (0.57) NT5EALDH1A1ALOX15CYP2C19HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0278910-B1 HEAVY METAL COMPLEX DYESTUFFS, THEIR PREPARATION AND THEIR USE CIBA-GEIGY AG (CH) 1992-01-22 EP claimed
US-4960870-A DYEING WOOL, POLYAMIDES; FIBER REACTIVE DYES CIBA-GEIGY CORPORATION (US) 1990-10-02 US claimed
CN-105452398-B Composition for ink, ink jet recording method and tingle body using this composition for ink 日本化药株式会社 2018-07-10 CN disclosed
CN-105602279-B Tetraazatetradecane porphyrin pigment, printing ink composition, recording method and tingle body 日本化药株式会社 2018-06-15 CN disclosed
CN-107012695-A Ink-jet cloth printing penetrating fluid, ink jet printing method and ink-jet printing device 精工爱普生株式会社 2017-08-04 CN disclosed
CN-105602279-A Porphyrazine coloring matter, ink composition, recording method, and colored object NIPPON KAYAKU KK 2016-05-25 CN disclosed
CN-105452398-A Ink composition, ink jet recording method using same, and colored material NIPPON KAYAKU KK 2016-03-30 CN disclosed
CN-102558948-B Ink composite, the ink jet recording method using it and record thing SEIKO EPSON CORP. (JP) 2016-02-10 CN disclosed
CN-101631834-B Porphyrazine dye, ink set, and colored material NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2014-10-22 CN disclosed
CN-102395629-B Porphyrazine dye, ink composition containing same, and colored article NIPPON KAYAKU KK 2014-05-14 CN disclosed
CN-102264843-B Porphyrazine dye, ink composition containing same, and colored material NIPPON KAYAKU KK 2014-05-14 CN disclosed
CN-101384670-B Porphyrazine dye, ink set, and colored material NIPPON KAYAKU KK 2013-06-05 CN disclosed
CN-101298524-B Ink, ink jet recording method, ink cartridge, recording unit, and ink jet recording apparatus CANON KK 2013-03-20 CN disclosed
EP-0278910-B1 HEAVY METAL COMPLEX DYESTUFFS, THEIR PREPARATION AND THEIR USE CIBA-GEIGY AG (CH) 1992-01-22 EP disclosed
US-4960870-A DYEING WOOL, POLYAMIDES; FIBER REACTIVE DYES CIBA-GEIGY CORPORATION (US) 1990-10-02 US disclosed
US-4248771-A FOR DYEING AND PRINTING BAYER AKTIENGESELLSCHAFT (DE) 1981-02-03 US disclosed
US-4150942-A DYE LEATHER GRAY SANDOZ LTD. (CH) 1979-04-24 US disclosed