SCHEMBL7052503

SCHEMBL7052503

COc1ncnc(Nc2ccc(S(N)(=O)=O)cc2)c1OC

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.61
ROCK1 Q13464 2/20 0.51
RAF1 P04049 1/20 0.51
BRAF P15056 1/20 0.51
CA2 P00918 11/20 0.50
CA1 P00915 10/20 0.50
CA9 Q16790 7/20 0.50
CA7 P43166 5/20 0.50
CA13 Q8N1Q1 4/20 0.50
EGFR P00533 4/20 0.50
ERBB3 P21860 2/20 0.50
CA12 O43570 4/20 0.49
CDK1 P06493 1/20 0.48
CCNB1 P14635 1/20 0.48
CCNA2 P20248 1/20 0.48
CCNE1 P24864 1/20 0.48
CDK2 P24941 1/20 0.48
CDK5 Q00535 1/20 0.48
CDK5R1 Q15078 1/20 0.48
KDR P35968 1/20 0.46

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
SCHEMBL27962184 0.85 CA1 (0.62) ROCK1RAF1BRAFCA2CA1
Sulfadoxine SCHEMBL615997 0.82 ESR1 (0.90) ESR1CA2CA1CA9CA7
SCHEMBL10759313 0.82 CA2 (0.54) ROCK1RAF1BRAFCA2CA1
SCHEMBL9007901 0.81 ESR1 (0.58) ESR1POLB
SCHEMBL10695768 0.79 MEN1 (0.58) ROCK1RAF1BRAFCA2CA1
Sulfadoxine SCHEMBL41069 0.76 ESR1 (1.00) ESR1
Sulfadoxine SCHEMBL29390814 0.76 ESR1 (1.00) ESR1
Sulfadoxine SCHEMBL28359083 0.75 ESR1 (0.97) ESR1
Sulfadoxine SCHEMBL28436237 0.75 ESR1 (0.97) ESR1
Sulfadoxine SCHEMBL28537335 0.75 ESR1 (0.97) ESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0741570-B1 PREVENTING OR REDUCING PHOTOSENSITIVITY AND/OR PHOTOTOXICITY REACTIONS TO ANTIINFECTIVE MEDICATIONS SEARLE & CO (US) 2003-05-07 EP claimed
EP-0255100-A2 Use of trimetrexate and its salts for the preparation of pharmaceutical compositions for treating infections of the mycobacterium-avium-intracellulare complex WARNER-LAMBERT COMPANY (US) 1988-02-03 EP claimed
US-4284627-A TETRAHYDROACRIDONE DERIVATIVES HOECHST AKTIENGESELLSCHAFT (DE) 1981-08-18 US claimed
EP-0001796-B1 ANTI-MALARIA DRUG HOECHST AKTIENGESELLSCHAFT (DE) 1981-06-10 EP claimed
CN-217092184-U Activated carbon decoloring device for precisely processing sulfadoxine 江苏金申医药科技有限公司 2022-08-02 CN disclosed
CN-110694319-B High-purity decolorizing and filter pressing process of sulfadoxine 江苏金申医药科技有限公司 2022-04-01 CN disclosed
CN-110642794-B Efficient preparation method of sulfadoxine cyclic compound intermediate 江苏金申医药科技有限公司 2022-03-08 CN disclosed
CN-211051499-U Stirring mechanism of sulfadoxine reaction tank 常熟市金申医化制品有限责任公司 2020-07-21 CN disclosed
CN-211051363-U Rotary conical stirring equipment 常熟市金申医化制品有限责任公司 2020-07-21 CN disclosed
CN-211051037-U Filter pressing device for preparing sulfadoxine 常熟市金申医化制品有限责任公司 2020-07-21 CN disclosed
CN-211051462-U Sulfadoxine preparation storage tank 常熟市金申医化制品有限责任公司 2020-07-21 CN disclosed
CN-211026306-U A retort for preparing sulfadoxine 常熟市金申医化制品有限责任公司 2020-07-17 CN disclosed
US-4374826-A SULFADOXINE, TRIMETHOPRIM, 2-PYRROLIDONE PFIZER INC. (US) 1983-02-22 US disclosed
US-4284627-A TETRAHYDROACRIDONE DERIVATIVES HOECHST AKTIENGESELLSCHAFT (DE) 1981-08-18 US disclosed
US-4284627-A TETRAHYDROACRIDONE DERIVATIVES HOECHST AKTIENGESELLSCHAFT (DE) 1981-08-18 US disclosed
EP-0001796-B1 ANTI-MALARIA DRUG HOECHST AKTIENGESELLSCHAFT (DE) 1981-06-10 EP disclosed
US-4260615-A Antimalarial compositions HOECHST AKTIENGESELLSCHAFT (DE) 1981-04-07 US disclosed
US-4260615-A Antimalarial compositions HOECHST AKTIENGESELLSCHAFT (DE) 1981-04-07 US disclosed
EP-0001796-A1 Anti-malaria drug HOECHST AKTIENGESELLSCHAFT (DE) 1979-05-16 EP disclosed
EP-0001796-A1 Anti-malaria drug HOECHST AKTIENGESELLSCHAFT (DE) 1979-05-16 EP disclosed