SCHEMBL4728735

SCHEMBL4728735

O=S(=O)(c1ccccc1)c1ncc[nH]1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 3/20 0.48
MET P08581 1/20 0.45
MTOR P42345 1/20 0.42
ADK P55263 1/20 0.42
NISCH Q9Y2I1 1/20 0.42
TXNRD1 Q16881 1/20 0.40
ALDH1A1 P00352 2/20 0.40
HSD17B10 Q99714 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
AKR1B1 P15121 1/20 0.40
MEN1 O00255 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
ADRA1A P35348 1/20 0.37
HTR2B P41595 1/20 0.37
KDM4E B2RXH2 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NAMPT P43490 1/20 0.36

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
SCHEMBL1097174 0.81 GAA (0.52) NISCHTXNRD1ALDH1A1AKR1B1MEN1
SCHEMBL28102125 0.81 TSHR (0.52) HTR6TXNRD1ALDH1A1HSD17B10TDP1
SCHEMBL4730459 0.81 TXNRD1 (0.39) METTXNRD1
SCHEMBL502541 0.81 TXNRD1 (0.44) MTORADKNISCHTXNRD1ALDH1A1
Bromide SCHEMBL28322202 0.79 TXNRD1 (0.43) MTORADKNISCHTXNRD1ALDH1A1
SCHEMBL6724089 0.78 KDM4E (0.49) METMTORADKNISCHTXNRD1
SCHEMBL3172967 0.78 CA1 (0.42) MTORADKNISCHTXNRD1ALDH1A1
SCHEMBL5755255 0.78 CA1 (0.46) HTR6TXNRD1KDM4ESMN1; SMN2
SCHEMBL28102213 0.78 KMT2A (0.51) TXNRD1ALDH1A1MEN1RAB9AKMT2A
SCHEMBL31359438 0.76 AKR1B1 (0.48) MTORADKNISCHTXNRD1AKR1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119447463-A Electrolyte, battery, energy storage device and energy storage system 厦门海辰储能科技股份有限公司 2025-02-14 CN claimed
CN-112661725-B Synthetic method of sex pheromone of fall webworm 江苏宁录科技股份有限公司 2022-11-15 CN claimed
CN-112661725-A Synthetic method of sex pheromone of fall webworm 江苏宁录科技股份有限公司 2021-04-16 CN claimed
CN-107365265-A 4-hydroxy-3-methoxyacetophenone water-soluble prodrug, its preparation method, pharmaceutical composition and purposes 中国科学院上海药物研究所 2017-11-21 CN claimed
CN-119447463-A Electrolyte, battery, energy storage device and energy storage system 厦门海辰储能科技股份有限公司 2025-02-14 CN disclosed
CN-119447463-A Electrolyte, battery, energy storage device and energy storage system 厦门海辰储能科技股份有限公司 2025-02-14 CN disclosed
CN-112661725-B Synthetic method of sex pheromone of fall webworm 江苏宁录科技股份有限公司 2022-11-15 CN disclosed
US-20220195424-A1 Chemical Capping for Template Switching NEW ENGLAND BIOLABS, INC. (US) 2022-06-23 US disclosed
CN-108693259-B Method for detecting 1, 2-diaminobenzene drugs in animal tissues and dairy products 广东出入境检验检疫局检验检疫技术中心 2021-04-27 CN disclosed
CN-112661725-A Synthetic method of sex pheromone of fall webworm 江苏宁录科技股份有限公司 2021-04-16 CN disclosed
WO-2020231697-A1 CHEMICAL CAPPING FOR TEMPLATE SWITCHING NEW ENGLAND BIOLABS, INC. (US) 2020-11-19 WO disclosed
CN-110483514-A The ring hydrazine derivate and its application that a kind of cyano replaces VIVAVISION BIOPHARMA SHANGHAI CO LTD 2019-11-22 CN disclosed
US-4734427-A PLANTS BAYER AKTIENGESELLSCHAFT (DE) 1988-03-29 US disclosed
US-4734427-A PLANTS BAYER AKTIENGESELLSCHAFT (DE) 1988-03-29 US disclosed
US-4710509-A IMIDAZOLE AND TRIAZOLE DERIVATIVES; FUNGICIDES NIHON TOKUSHU NOYAKU SEIZO K. K. (JP) 1987-12-01 US disclosed
EP-0238824-A1 Microbicidal agent BAYER AG (DE) 1987-09-30 EP disclosed
US-4587317-A ACID CATALYSTS CIBA-GEIGY CORPORATION (US) 1986-05-06 US disclosed
EP-0155435-A2 Process for preparing cross-linked polymers by cationic polymerisation of unsaturated bicyclic imides CIBA-GEIGY AG (CH) 1985-09-25 EP disclosed
US-4402960-A Antiinflammatory imidazole derivatives SCHERING AKTIENGESELLSCHAFT (DE) 1983-09-06 US disclosed
US-4356244-A Quinoxaline cyanine dye sensitized organic electron donor compounds MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1982-10-26 US disclosed