SCHEMBL9349723

SCHEMBL9349723

CS(=O)(=O)c1cc([N+](=O)[O-])cc(Br)c1N

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.59
▸ CYP3A4 P08684 3/20 0.59
▸ HTT P42858 2/20 0.47
▸ POLB P06746 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.40
▸ ESPL1 Q14674 1/20 0.39
▸ LMNA P02545 2/20 0.38
▸ CTSB P07858 1/20 0.38
▸ CA2 P00918 4/20 0.38
▸ CA1 P00915 3/20 0.38
▸ CA9 Q16790 3/20 0.38
▸ CA5A P35218 2/20 0.38
▸ CA3 P07451 2/20 0.38
▸ CA12 O43570 2/20 0.38
▸ CA14 Q9ULX7 2/20 0.38
▸ CA4 P22748 1/20 0.38
▸ CA6 P23280 1/20 0.38
▸ CA7 P43166 1/20 0.38
▸ CA13 Q8N1Q1 1/20 0.38
▸ CA5B Q9Y2D0 1/20 0.38

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
SCHEMBL25592597 0.86 ALDH1A1 (0.62) ALDH1A1CYP3A4HTTPOLBTDP1
SCHEMBL2960533 0.85 ALDH1A1 (0.56) ALDH1A1CYP3A4HTTPOLBTDP1
SCHEMBL11809314 0.84 ALDH1A1 (0.56) ALDH1A1CYP3A4HTTPOLBTDP1
SCHEMBL11133671 0.83 ALDH1A1 (0.54) ALDH1A1CYP3A4HTTPOLBTDP1
SCHEMBL13964436 0.81 ALDH1A1 (0.53) ALDH1A1CYP3A4HTTPOLBTDP1
SCHEMBL11203491 0.81 ALDH1A1 (0.67) ALDH1A1CYP3A4HTTPOLBTDP1
SCHEMBL1913665 0.81 ALDH1A1 (0.56) ALDH1A1CYP3A4HTTPOLBTDP1
SCHEMBL219209 0.80 ALDH1A1 (0.80) ALDH1A1CYP3A4HTTPOLBTDP1
SCHEMBL11815362 0.77 ALDH1A1 (0.51) ALDH1A1CYP3A4HTTPOLBLMNA
SCHEMBL11434025 0.76 XDH (0.59) ALDH1A1CYP3A4HTTPOLBLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0457184-B1 Naphthol derivatives, method for their preparation and use therefor BOEHRINGER MANNHEIM GMBH (DE) 1994-08-17 — — EP disclosed
EP-0457184-A2 Naphthol derivatives, method for their preparation and use therefor Roche Diagnostics GmbH (DE) 1991-11-21 — — EP disclosed
EP-0036081-B1 AZO DYESTUFFS AS WELL AS THEIR PREPARATION AND THEIR USE IN DYEING SYNTHETIC FIBRES BAYER AG (DE) 1984-01-18 — — EP disclosed
US-4424156-A Halo-substituted amino-and substituted-sulphonamido-containing azo dyestuffs BAYER AKTIENGESELLSCHAFT (DE) 1984-01-03 — — US disclosed
EP-0039312-B1 COLOUR PHOTOPGRAPHIC MATERIAL FOR THE SILVER-DYE BLEACHING PROCESS, PROCESS FOR THE PRODUCTION OF THIS MATERIAL AND ITS USE IN THE PRODUCTION OF PHOTOGRAPHIC IMAGES CIBA-GEIGY AG (CH) 1983-12-28 — — EP disclosed
EP-0083009-A1 Dispersion dyestuffs BASF Aktiengesellschaft (DE) 1983-07-06 — — EP disclosed
EP-0027887-B1 AZODYESTUFFS, THEIR PREPARATION AND USE IN DYEING SYNTHETIC FIBRES BAYER AG (DE) 1983-05-11 — — EP disclosed
US-4379819-A OIL SOLUBLE MONOAZO DYE CIBA-GEIGY AG (CH) 1983-04-12 — — US disclosed
EP-0039312-A1 Colour photopgraphic material for the silver-dye bleaching process, process for the production of this material and its use in the production of photographic images CIBA-GEIGY AG (CH) 1981-11-04 — — EP disclosed
EP-0036081-A1 Azo dyestuffs as well as their preparation and their use in dyeing synthetic fibres BAYER AG (DE) 1981-09-23 — — EP disclosed
US-4237048-A COLORFASTNESS; FOR DYEING NATURAL AND SYNTHETIC FIBERS BAYER AKTIENGESELLSCHAFT (DE) 1980-12-02 — — US disclosed
US-4105655-A PHENYL-AZO-ANILINO DYESTUFF BAYER AKTIENGESELLSCHAFT (DE) 1978-08-08 — — US disclosed
US-4087420-A DYEING AND PRINTING OF HYDROPHOBIC SYNTHETIC FIBERS AND FILMS CASSELLA FARBWERKE MAINKUR AKTIENGESELLSCHAFT (DT) 1978-05-02 — — US disclosed
US-4083846-A Process for the preparation of azo dyestuffs BAYER AKTIENGESELLSCHAFT (DT) 1978-04-11 — — US disclosed
US-4083844-A Phenylazo orthocyano phenylazo or orthocyano phenylazo phenylazo containing dyestuffs BAYER AKTIENGESELLSCHAFT (DT) 1978-04-11 — — US disclosed
US-4060544-A COUPLERS GAF CORPORATION (US) 1977-11-29 — — US disclosed
US-4039524-A Keto-amido containing phenylazo benzothiazole dyestuffs GAF CORPORATION (US) 1977-08-02 — — US disclosed
US-4035143-A HYDROPHOBIC FIBERS AND FILMS, HETEROAROMATIC RADICALS CASSELLA FARBWERKE MAINKUR AKTIENGESELLSCHAFT (DT) 1977-07-12 — — US disclosed
US-3978040-A Process for the preparation of cyanoazo compounds by reacting halogenoazo compounds with CuCN in an aqueous media in the presence of a nitrogen base BAYER AKTIENGESELLSCHAFT (DT) 1976-08-31 — — US disclosed
US-3954395-A MONOAZO BAYER AKTIENGESELLSCHAFT (DT) 1976-05-04 — — US disclosed
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