SCHEMBL942997

SCHEMBL942997

O=[N+]([O-])c1cccc(S)c1[N+](=O)[O-]

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.59
GPR35 Q9HC97 2/20 0.59
TDP1 Q9NUW8 5/20 0.52
ALDH1A1 P00352 5/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
S100A4 P26447 2/20 0.44
PTPRC P08575 1/20 0.44
HSD17B10 Q99714 1/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
PDE10A Q9Y233 1/20 0.40
ERN1 O75460 1/20 0.40

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
SCHEMBL8129828 1.00 TSHR (0.59) TSHRGPR35TDP1ALDH1A1SMN1; SMN2
Water SCHEMBL8181379 0.98 TSHR (0.57) TSHRGPR35TDP1ALDH1A1SMN1; SMN2
Ether SCHEMBL8181373 0.86 TSHR (0.50) TSHRGPR35TDP1ALDH1A1SMN1; SMN2
SCHEMBL1926046 0.84 TSHR (0.71) TSHRGPR35TDP1ALDH1A1SMN1; SMN2
SCHEMBL118464 0.84 TSHR (0.71) TSHRGPR35TDP1ALDH1A1SMN1; SMN2
SCHEMBL8128597 0.83 S100A4 (0.50) TSHRGPR35TDP1ALDH1A1SMN1; SMN2
SCHEMBL7157905 0.81 TSHR (0.68) TSHRGPR35TDP1ALDH1A1SMN1; SMN2
SCHEMBL28529002 0.81 TSHR (0.68) TSHRGPR35TDP1ALDH1A1SMN1; SMN2
SCHEMBL29669769 0.81 TSHR (0.68) TSHRGPR35TDP1ALDH1A1SMN1; SMN2
SCHEMBL7157907 0.81 TSHR (0.68) TSHRGPR35TDP1ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2481760-B1 INITIATOR SYSTEM FOR CATIONIC POLYMERIZATION AND POLYMERIZATION METHOD USING SAME CHINA PETROLEUM & CHEM CORP (CN) 2021-05-05 EP claimed
CN-111763162-A Diamine compound containing sulfoxide group bridge chain, and synthetic method and application thereof 武汉依麦德新材料科技有限责任公司 2020-10-13 CN claimed
EP-0572720-B1 A process for preparing thermoplastic resin compositions with excellent hydrochlorofluorocarbon resistance LUCKY LTD (KR) 1997-04-16 EP claimed
US-5283287-A Graft polymer containing polymerization inhibitor LUCKY LIMITED (KR) 1994-02-01 US claimed
EP-0572720-A2 A process for preparing thermoplastic resin compositions with excellent hydrochlorofluorocarbon resistance LUCKY, LTD. (KR) 1993-12-08 EP claimed
WO-2023249436-A1 TRANSITION METAL COMPLEX AND ELECTROCHEMILUMINESCENCE-BASED HYDROGEN SULFIDE DETECTION SENSOR INCLUDING SAME 한국과학기술연구원 2023-12-28 WO disclosed
CN-116438214-A Sealing material for organic EL display element, cured product thereof, and organic EL display device 三井化学株式会社 2023-07-14 CN disclosed
WO-2022107692-A1 SEALING MATERIAL FOR ORGANIC EL DISPLAY ELEMENT, CURED PRODUCT OF SAID SEALING MATERIAL, AND ORGANIC EL DISPLAY DEVICE 三井化学株式会社 2022-05-27 WO disclosed
CN-113853372-A Thio-heterocyclic exchange chemistry and uses thereof 弗吉尼亚大学专利基金委员会 2021-12-28 CN disclosed
EP-2481760-B1 INITIATOR SYSTEM FOR CATIONIC POLYMERIZATION AND POLYMERIZATION METHOD USING SAME CHINA PETROLEUM & CHEM CORP (CN) 2021-05-05 EP disclosed
EP-2481759-B1 ISO-OLEFIN POLYMER AND PREPARATION METHOD THEREOF CHINA PETROLEUM & CHEM CORP (CN) 2021-05-05 EP disclosed
CN-111763162-A Diamine compound containing sulfoxide group bridge chain, and synthetic method and application thereof 武汉依麦德新材料科技有限责任公司 2020-10-13 CN disclosed
EP-0188256-A2 Metal radionuclide labeled proteins for diagnosis and therapy NeoRx (US) 1986-07-23 EP disclosed
US-4592865-A Antibiotic SHIONOGI & CO., LTD. (JP) 1986-06-03 US disclosed
US-4203897-A Penam derivatives FUJISAWA PHARMACEUTICAL COMPANY, LIMITED (JP) 1980-05-20 US disclosed
US-4163832-A Polythioethers formed by anionic ring opening of episulfides EXXON RESEARCH & ENGINEERING CO. (US) 1979-08-07 US disclosed
US-4084049-A CEPHALOSPORIN ANTIBIOTICS FUJISAWA PHARMACEUTICAL CO., LTD. (JA) 1978-04-11 US disclosed
US-4033945-A Water-soluble trisazo 8-amino-naphthol-1 dyes CASSELLA FARBWERKE MAINKUR AKTIENGESELLSCHAFT (DT) 1977-07-05 US disclosed
US-4017538-A ANTIALLERGY, ANTIANAPHYLACTIC THE UPJOHN COMPANY (US) 1977-04-12 US disclosed
US-3954732-A BACTERICIDAL PENICILLINS FUJISAWA PHARMACEUTICAL CO., LTD. (JA) 1976-05-04 US disclosed