SCHEMBL99918

SCHEMBL99918

O=C(O)c1ccc(-c2ccccc2)c([N+](=O)[O-])c1

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CASP6 P55212 1/20 0.64
TSHR P16473 2/20 0.58
LMNA P02545 1/20 0.58
ALDH1A1 P00352 4/20 0.58
TDP1 Q9NUW8 1/20 0.58
HCAR3 P49019 8/20 0.57
POLB P06746 1/20 0.52
MAPT P10636 1/20 0.51
APEX1 P27695 1/20 0.50

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
SCHEMBL9557826 0.92 CASP6 (0.66) CASP6TSHRLMNATDP1HCAR3
SCHEMBL23499234 0.90 CASP6 (0.64) CASP6TSHRLMNATDP1HCAR3
SCHEMBL30011381 0.90 CASP6 (0.64) CASP6TSHRLMNATDP1HCAR3
SCHEMBL17197945 0.90 CASP6 (0.68) CASP6TSHRLMNAHCAR3APEX1
SCHEMBL11195885 0.88 CASP6 (0.75) CASP6TSHRLMNAHCAR3APEX1
SCHEMBL9171787 0.87 ALDH1A1 (0.54) CASP6TSHRLMNAALDH1A1TDP1
SCHEMBL8441836 0.87 MAPT (0.59) CASP6TSHRALDH1A1TDP1POLB
SCHEMBL11696700 0.87 ALDH1A1 (0.54) CASP6TSHRLMNAALDH1A1TDP1
SCHEMBL27940022 0.87 VCAM1 (0.66) CASP6LMNAALDH1A1TDP1HCAR3
SCHEMBL31548567 0.87 CASP6 (0.64) CASP6TSHRLMNAALDH1A1HCAR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118496135-B Thiourea compound or pharmaceutically acceptable salt thereof and application thereof as immunosuppressant 中国海洋大学 2024-11-15 CN disclosed
CN-118496135-A Thiourea compound or pharmaceutically acceptable salt thereof and application thereof as immunosuppressant 中国海洋大学 2024-08-16 CN disclosed
CN-118401507-A Inhibitors targeting ubiquitin-specific protease 7 (USP 7) 丹娜法伯癌症研究院 2024-07-26 CN disclosed
CN-109467509-B Preparation method of substituted nitrobenzene compounds 联化科技股份有限公司 2021-09-24 CN disclosed
US-9072734-B2 Quaternary ammonium salt compounds TEIJIN PHARMA LIMITED (JP) 2015-07-07 US disclosed
CN-102459231-B Quaternary ammonium salt compound TEIJIN PHARMA LTD 2015-04-22 CN disclosed
CN-102459231-A Quaternary ammonium salt compound TEIJIN PHARMA LTD 2012-05-16 CN disclosed
CN-101923241-B Display element SHARP KK 2012-05-09 CN disclosed
CN-1960969-B Histamine H3 receptor agents, methods of preparation and therapeutic uses thereof LILLY CO ELI 2012-03-28 CN disclosed
EP-2426121-A1 QUATERNARY AMMONIUM SALT COMPOUND Teijin Pharma Limited (JP) 2012-03-07 EP disclosed
CN-101583352-A Preparation and use of biphenyl amino acid derivatives for the treatment of obesity BAYER PHARMACEUTICALS CORP (US) 2009-11-18 CN disclosed
CN-100476522-C Display element and display apparatus SHARP KK (JP) 2009-04-08 CN disclosed
EP-2017263-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2009-01-21 EP disclosed
CN-101087769-A Preparation and use of biphenyl-4-yl-carbonylamino acid derivatives for the treatment of obesity BAYER PHARMACEUTICALS CORP (US) 2007-12-12 CN disclosed
CN-101018774-A Modulators of alpha7 nicotinic acetylcholine receptors and therapeutic uses thereof SIENA BIOTECH SPA (IT) 2007-08-15 CN disclosed
CN-1960969-A Histamine H3 receptor agents, methods of preparation and therapeutic uses thereof LILLY CO ELI (US) 2007-05-09 CN disclosed
EP-1697337-A2 ORNITHINE DERIVATIVES AS PROSTAGLANDIN-E2-AGONISTS OR ANTAGONISTS Astellas Pharma Inc. (JP) 2006-09-06 EP disclosed
CN-1645192-A Display element and display apparatus SHARP KK (JP) 2005-07-27 CN disclosed
CN-1641425-A Display element, display device, and method for manufacturing display element SHARP KK (JP) 2005-07-20 CN disclosed
WO-2005061475-A2 ORNITHINE DERIVATIVES AS PROSTAGLANDIN E2 AGONISTS OR ANTAGONISTS ASTELLAS PHARMA INC. (JP) 2005-07-07 WO disclosed