SCHEMBL876553

SCHEMBL876553

O=[N+]([O-])c1ccccc1[S+]([O-])Cl

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.47
▸ TSHR P16473 2/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ TDP1 Q9NUW8 5/20 0.45
▸ KMT2A Q03164 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ GPR35 Q9HC97 1/20 0.43
▸ HPGD P15428 2/20 0.42
▸ NPC1 O15118 1/20 0.41
▸ RECQL P46063 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ MAPK1 P28482 1/20 0.40
▸ CASP7 P55210 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ PLAU P00749 1/20 0.39
▸ PTPRC P08575 1/20 0.39
▸ S100A4 P26447 1/20 0.39

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
SCHEMBL2461936 0.83 HSD17B10 (0.50) ALDH1A1TSHRHSD17B10TDP1KMT2A
SCHEMBL10332960 0.79 HSD17B10 (0.47) ALDH1A1TSHRHSD17B10TDP1KMT2A
SCHEMBL10332959 0.79 HSD17B10 (0.47) ALDH1A1TSHRHSD17B10TDP1KMT2A
SCHEMBL6870799 0.79 HSD17B10 (0.52) ALDH1A1TSHRHSD17B10TDP1KMT2A
SCHEMBL20150198 0.79 HSD17B10 (0.52) ALDH1A1TSHRHSD17B10TDP1KMT2A
SCHEMBL3160352 0.76 ALDH1A1 (0.46) ALDH1A1TSHRHSD17B10TDP1KMT2A
SCHEMBL10505220 0.75 HPGD (0.55) ALDH1A1TSHRHSD17B10TDP1KMT2A
SCHEMBL11381869 0.75 TDP1 (0.53) ALDH1A1TSHRHSD17B10TDP1KMT2A
SCHEMBL16690965 0.75 HSD17B10 (0.47) ALDH1A1TSHRHSD17B10TDP1KMT2A
SCHEMBL22566 0.74 HSD17B10 (0.67) ALDH1A1TSHRHSD17B10TDP1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110627832-A Preparation method for synthesizing tenofovir alafenamide by oxidation method 江西农业大学 2019-12-31 — — CN claimed
CN-101747342-B Technology for synthesizing aspoxicillin NANJING HEALTHNICE MEDICAL TECHNOLOGY CO LTD 2013-03-06 — — CN claimed
CN-101747342-A Technology for synthesizing aspoxicillin QIAOGEN ZOU 2010-06-23 — — CN claimed
CN-113999251-A Synthetic method of aspoxicillin sodium 海南海灵化学制药有限公司 2022-02-01 — — CN disclosed
CN-110627832-A Preparation method for synthesizing tenofovir alafenamide by oxidation method 江西农业大学 2019-12-31 — — CN disclosed
WO-2017004609-A1 THIADIAZOLE MODULATORS OF S1P AND METHODS OF MAKING AND USING EXELIXIS, INC. (US) 2017-01-05 — — WO disclosed
CN-103992337-B A kind of method preparing Aspoxicillin sodium easily 南京优科生物医药研究有限公司 2016-08-17 — — CN disclosed
CN-104059087-B A kind of synthetic method of aspoxicillin HUNAN ER-KANG PHARMACEUTICAL CO., LTD. (CN) 2016-02-17 — — CN disclosed
CN-102971318-B Tetrahydrocarboline derivative ONO PHARMACEUTICAL CO.,LTD. (JP) 2015-11-25 — — CN disclosed
CN-103333180-B Preparation method of aspoxicillin HUNAN SANQING PHARMACEUTICAL CO., LTD. (CN) 2014-10-15 — — CN disclosed
CN-104059087-A Synthesis method of aspoxicillin HUNAN ER KANG PHARMACEUTICAL CO LTD 2014-09-24 — — CN disclosed
EP-0433655-B1 2-(1-substituted-2-imidazolin-2-yl)benzoic and nicotinic acids and a method for their preparation AMERICAN CYANAMID CO (US) 1995-01-18 — — EP disclosed
US-5354727-A Herbicides AMERICAN CYANAMID COMPANY (US) 1994-10-11 — — US disclosed
US-5213607-A Pre and post emergence herbicides AMERICAN CYANAMID COMPANY (US) 1993-05-25 — — US disclosed
US-5062881-A Herbicides AMERICAN CYANAMID COMPANY (US) 1991-11-05 — — US disclosed
EP-0433655-A1 2-(1-substituted-2-imidazolin-2-yl)benzoic and nicotinic acids and a method for their preparation AMERICAN CYANAMID COMPANY (US) 1991-06-26 — — EP disclosed
US-4719231-A 3-[N-(mercaptoacyl)]amino-4-arylbutanoic acid derivatives and an analgesic agent comprising the same ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JP) 1988-01-12 — — US disclosed
CN-85101497-A Process for the preparation of N-aryl-3-aryl-4, 5-dihydro-1H-pyrazole-1-carboxamides — 1986-07-16 — — CN disclosed
US-4438265-A Esters of 7-sulfenyliminocephem-4-carboxylic acids SANKYO COMPANY LIMITED (JP) 1984-03-20 — — US disclosed
US-4162251-A Process for the preparation of β-lactam compounds SANKYO COMPANY LIMITED (JP) 1979-07-24 — — US disclosed
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