SCHEMBL4145387

SCHEMBL4145387

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.44
TDP1 Q9NUW8 3/20 0.44
HPGD P15428 3/20 0.44
CASP6 P55212 2/20 0.40
GAA P10253 2/20 0.40
NSD2 O96028 1/20 0.40
PLCG1 P19174 1/20 0.40
DNMT1 P26358 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HSD17B10 Q99714 4/20 0.38
LMNA P02545 1/20 0.36
TSHR P16473 3/20 0.35
NT5E P21589 1/20 0.35
CA1 P00915 5/20 0.35
CA2 P00918 5/20 0.35
CA12 O43570 3/20 0.35
CA9 Q16790 2/20 0.35
KDM4E B2RXH2 1/20 0.35
CA7 P43166 1/20 0.34
CA14 Q9ULX7 1/20 0.34

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
SCHEMBL12466911 0.98 ALDH1A1 (0.43) ALDH1A1TDP1HPGDCASP6GAA
SCHEMBL4362006 0.82 ALDH1A1 (0.38) ALDH1A1GAALMNASMN1; SMN2
SCHEMBL28524826 0.82 VCAM1 (0.34) ALDH1A1TDP1GAAHSD17B10CA1
SCHEMBL28859407 0.82 CA2 (0.50) ALDH1A1TDP1LMNACA1CA2
SCHEMBL9320555 0.81 KMT2A (0.32) ALDH1A1TDP1HPGDGAACA1
SCHEMBL6759088 0.78 ALDH1A1 (0.53) ALDH1A1HPGDGAALMNACA1
SCHEMBL9320310 0.78 CA1 (0.53) ALDH1A1GAAL3MBTL1LMNACA1
SCHEMBL9322097 0.78 MMP2 (0.44) ALDH1A1MMP2
SCHEMBL2041314 0.77 ALDH1A1 (0.58) ALDH1A1GAAL3MBTL1LMNATSHR
SCHEMBL2041738 0.74 VCAM1 (0.56) ALDH1A1HPGDLMNATSHRKDM4E

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 74 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2478049-B1 A POLYMER SUPPORT UNIV CAPE TOWN (ZA) 2015-02-25 EP claimed
EP-1050563-B1 Dye for ink jet ink EASTMAN KODAK CO (US) 2005-08-24 EP claimed
US-6174356-B1 WATER, A HUMECTANT AND A WATER-SOLUBLE AZOINDOLE DYE. EASTMAN KODAK COMPANY 2001-01-16 US claimed
EP-1050563-A1 Dye for ink jet ink EASTMAN KODAK COMPANY (US) 2000-11-08 EP claimed
US-4981979-A IMMUNOLOGY NEORX CORPORATION (US) 1991-01-01 US claimed
US-3959332-A N-(2-NITRO-4-ARYLOXYSULFONYL-PHENYL)-ARYLENEDIAMINES, DYES SANDOZ LTD. (CH) 1976-05-25 US claimed
EP-3015516-A1 INK COMPOSITION, INK JET RECORDING METHOD USING SAME, AND COLORED MATERIAL Nippon Kayaku Kabushiki Kaisha (JP) 2016-05-04 EP disclosed
CN-104844618-B A kind of lavo-ofloxacin (rhodanine beta-unsaturated ketone) amide derivatives and its preparation method and application HENAN UNIVERSITY (CN) 2016-05-04 CN disclosed
CN-104844618-A Levofloxacin (rhodanine unsaturated ketone) amide derivative and preparation method and application thereof UNIV HENAN 2015-08-19 CN disclosed
CN-104844590-A N-methyl ciprofloxacin (rhodanine unsaturated ketone) amide derivative and preparation method and application thereof UNIV HENAN 2015-08-19 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
US-20090136720-A1 Azo Compound, Ink Composition, Recording Method and Colored Article NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2009-05-28 US disclosed
US-4981979-A IMMUNOLOGY NEORX CORPORATION (US) 1991-01-01 US disclosed
US-4965392-A DIAGNOSIS, RADIOTHERAPY OF TUMORS NEORX CORPORATION (US) 1990-10-23 US disclosed
US-4897255-A Metal radionuclide labeled proteins for diagnosis and therapy NEORX CORPORATION (US) 1990-01-30 US disclosed
EP-0306943-A2 Immunconjugates joined by thioether bonds having reduced toxicity and improved selectivity NEORX CORPORATION (US) 1989-03-15 EP disclosed
EP-0188256-A2 Metal radionuclide labeled proteins for diagnosis and therapy NeoRx (US) 1986-07-23 EP disclosed
US-3970660-A BIS(1,2-DIHYDRO-2-OXO-1-PYRIDYL) GLYOXAL AMERICAN CYANAMID COMPANY (US) 1976-07-20 US disclosed
US-3959332-A N-(2-NITRO-4-ARYLOXYSULFONYL-PHENYL)-ARYLENEDIAMINES, DYES SANDOZ LTD. (CH) 1976-05-25 US disclosed