SCHEMBL6523809

SCHEMBL6523809

Cc1ccc(S)c([N+](=O)[O-])c1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.67
CYP3A4 P08684 2/20 0.67
GPR35 Q9HC97 1/20 0.50
KAT2B Q92831 2/20 0.45
ACHE P22303 2/20 0.45
HSD17B10 Q99714 2/20 0.45
KDM4E B2RXH2 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
ALDH1A1 P00352 4/20 0.43
S1PR4 O95977 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
RECQL P46063 1/20 0.41
KCNMA1 Q12791 1/20 0.41

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
Zinc Ion SCHEMBL6513024 0.98 TSHR (0.64) TSHRCYP3A4GPR35KAT2BACHE
SCHEMBL6517423 0.98 TSHR (0.64) TSHRCYP3A4GPR35KAT2BACHE
SCHEMBL6517417 0.98 TSHR (0.64) TSHRCYP3A4GPR35KAT2BACHE
SCHEMBL6517426 0.98 TSHR (0.64) TSHRCYP3A4GPR35KAT2BACHE
SCHEMBL6513018 0.98 TSHR (0.64) TSHRCYP3A4GPR35KAT2BACHE
SCHEMBL7494376 0.83 TSHR (0.67) TSHRCYP3A4GPR35KAT2BACHE
SCHEMBL9501317 0.83 ALDH1A1 (0.50) TSHRCYP3A4ACHEKDM4ETDP1
SCHEMBL294724 0.80 TSHR (1.00) TSHRCYP3A4GPR35KAT2BACHE
SCHEMBL11189916 0.78 TSHR (0.72) TSHRCYP3A4GPR35KAT2BACHE
SCHEMBL29613904 0.78 TSHR (0.72) TSHRCYP3A4GPR35KAT2BACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102321001-A Synthesis method for 4-methyl-2-nitrothiophenol serving as chelating agent UNIV CHANGSHA SCIENCE 2012-01-18 CN claimed
CN-102249963-A Method for synthesizing 4-methyl-2-amino thiophenol UNIV CHANGSHA SCIENCE 2011-11-23 CN claimed
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
EP-2656882-B1 Golf ball SUMITOMO RUBBER IND (JP) 2021-06-09 EP disclosed
EP-3292893-B1 GOLF BALL SUMITOMO RUBBER IND (JP) 2021-06-09 EP disclosed
EP-3156441-B1 GOLF BALL SUMITOMO RUBBER IND (JP) 2020-11-25 EP disclosed
EP-3329971-B1 GOLF BALL SUMITOMO RUBBER IND (JP) 2020-11-18 EP disclosed
EP-2666521-B1 Golf ball SUMITOMO RUBBER IND (JP) 2020-09-02 EP disclosed
EP-2669326-B1 Golf ball SUMITOMO RUBBER IND (JP) 2019-06-12 EP disclosed
US-10286258-B2 Golf ball SUMITOMO RUBBER INDUSTRIES, LTD. (JP) 2019-05-14 US disclosed
US-10272296-B2 Golf ball SUMITOMO RUBBER INDUSTRIES, LTD. (JP) 2019-04-30 US disclosed
WO-1992018132-A1 PHARMACEUTICAL COMBINATION FOR THE TREATMENT OF BENIGN PROSTATIC HYPERPLASIA COMTAINING A 5 ALPHA-REDUCTASE INHIBITOR MERCK & CO., INC. (US) 1992-10-29 WO disclosed
WO-1992016213-A1 PHARMACEUTICAL COMBINATION FOR THE TREATMENT OF PROSTATIC HYPERPLASIA, CONTAINING A 5 ALPHA-REDUCTASE INHIBITOR AND AN ANTIANDROGEN MERCK & CO., INC. (US) 1992-10-01 WO disclosed
WO-1992016233-A1 PHARMACEUTICAL COMBINATION FOR THE TREATMENT OF PROSTATIC CANCER CONTAINING A 5 ALPHA REDUCTASE INHIBITOR AND AN ANTIANDROGEN MERCK & CO., INC. (US) 1992-10-01 WO disclosed
US-5081272-A PROCESS FOR PREPARATION OF PHOSPHORODICHLOROTHIOATES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-01-14 US disclosed
EP-0454498-A2 Pyrimidinedione derivatives and antiarrhythmic agents containing same MITSUI TOATSU CHEMICALS, Inc. (JP) 1991-10-30 EP disclosed
US-5008267-A Pyrimidinedione compounds, method of producing the same and antiarrythmic agents containing the same MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1991-04-16 US disclosed
EP-0369627-A2 Pyrimidinedione derivative compounds, method of producing the same and antiarrythmic agents containing the same MITSUI TOATSU CHEMICALS, Inc. (JP) 1990-05-23 EP disclosed
US-4727178-A Process for preparing phosphorodichloridothiolate STAUFFER CHEMICAL CO. (US) 1988-02-23 US disclosed
US-4056581-A Process for the preparation of phosphorodichloridothiolates ROHM AND HAAS COMPANY (US) 1977-11-01 US disclosed