SCHEMBL3244236

SCHEMBL3244236

O=C1C=[N+]([O-])c2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 7/20 0.41
APAF1 O14727 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
PPP1CA P62136 1/20 0.41
CDC25B P30305 3/20 0.39
MAOA P21397 3/20 0.39
MAOB P27338 2/20 0.39
SNCA P37840 2/20 0.39
EHMT2 Q96KQ7 2/20 0.39
AKT1 P31749 1/20 0.39
MAP2K1 Q02750 1/20 0.39
PIN1 Q13526 1/20 0.39
NSD1 Q96L73 1/20 0.39
EHMT1 Q9H9B1 1/20 0.39
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
MAPT P10636 4/20 0.35
MAPK1 P28482 4/20 0.35
KDM4E B2RXH2 3/20 0.35
LMNA P02545 3/20 0.35

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
Hydrochloric Acid SCHEMBL28279990 0.98 IDO1 (0.40) IDO1APAF1L3MBTL1PPP1CACDC25B
SCHEMBL2538331 0.65 IDO1 (0.38) IDO1APAF1L3MBTL1PPP1CACDC25B
SCHEMBL6460752 0.65 IDO1 (0.40) IDO1APAF1L3MBTL1PPP1CACDC25B
SCHEMBL318269 0.64 MEN1 (0.36) IDO1APAF1L3MBTL1PPP1CACDC25B
SCHEMBL5331883 0.62 IDO1 (0.40) IDO1APAF1L3MBTL1PPP1CACDC25B
Naphthoquinone SCHEMBL10908172 0.61 IDO1 (0.93) IDO1APAF1L3MBTL1CDC25BMAOA
Anthraquinone SCHEMBL10905960 0.59 MEN1 (0.92) IDO1APAF1CDC25BMAOAMAOB
SCHEMBL9302191 0.59 CYP1A2 (0.41) IDO1APAF1L3MBTL1PPP1CACDC25B
Naphthoquinone SCHEMBL11359780 0.57 IDO1 (1.00) IDO1APAF1L3MBTL1CDC25BMAOA
Naphthoquinone SCHEMBL29354680 0.57 IDO1 (1.00) IDO1APAF1L3MBTL1CDC25BMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111850101-A Visual distinguishing method for single-cell DNA epigenetic modification space positioning and adjacent distribution 西安交通大学 2020-10-30 CN claimed
EP-1401449-A1 TETRACYCLIC COMPOUNDS AS PDE5-INHIBITORS Lilly Icos LLC (US) 2004-03-31 EP claimed
WO-2002098428-A1 TETRACYCLIC COMPOUNDS AS PDE5-INHIBITORS LILLY ICOS LLC (US) 2002-12-12 WO claimed
WO-2024017372-A1 INDOLONE DERIVATIVE AND USE THEREOF 成都百裕制药股份有限公司 2024-01-25 WO disclosed
CN-117295523-A PXR-targeted difunctional PROTAC compound, preparation method and therapeutic application thereof 国家科学研究中心 2023-12-26 CN disclosed
WO-2023186069-A1 BIFUNCTIONAL CHIMERIC HETEROCYCLIC COMPOUND OF INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASE 4, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF AND USE THEREOF 石药集团中奇制药技术(石家庄)有限公司 2023-10-05 WO disclosed
CN-116783179-A Compounds and methods for targeted degradation of androgen receptor proteins 阿尔维纳斯运营股份有限公司 2023-09-19 CN disclosed
CN-115776887-A MDM2 degrading agents and uses thereof 凯麦拉医疗公司 2023-03-10 CN disclosed
CN-115666575-A Compound and use thereof 福宏治疗公司 2023-01-31 CN disclosed
CN-115667243-A Tetrahydroisoquinoline compounds as NRF2 activators 希四克斯探索有限公司 2023-01-31 CN disclosed
CN-115605488-A Bifunctional degradants of hematopoietic progenitor kinases and therapeutic uses thereof 新锐思生物制药股份有限公司(US) 2023-01-13 CN disclosed
WO-2008115516-A2 4'-O-SUBSTITUTED ISOINDOLINE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME CELGENE CORPORATION (US) 2008-09-25 WO disclosed
WO-2008101824-A1 IMIDAZO[1',5':1,6] PYRIDO[3,4-B]INDOLES DERIVATIVES AND THERAPEUTICAL USE THEREOF FOURTILLAN (FR) 2008-08-28 WO disclosed
EP-1727804-A1 N1 - ((PYRAZOL-1-YMETHYL) -2-METHYLPHENYL)- PHATALAMIDE DERIVATIVES AND RELATED COMPOUNDS INSECTICIDES Bayer CropScience Aktiengesellschaft (DE) 2006-12-06 EP disclosed
WO-2005095351-A1 N1 - ((PYRAZOL-1-YMETHYL) -2-METHYLPHENYL)- PHATALAMIDE DERIVATIVES AND RELATED COMPOUNDS INSECTICIDES BAYER CROPSCIENCE AG (DE) 2005-10-13 WO disclosed
EP-1401449-A1 TETRACYCLIC COMPOUNDS AS PDE5-INHIBITORS Lilly Icos LLC (US) 2004-03-31 EP disclosed
EP-1397361-A1 CARBOLINE DERIVATIVES AS PDEV INHIBITORS Lilly Icos LLC (US) 2004-03-17 EP disclosed
WO-2003000691-A1 CARBOLINE DERIVATIVES AS PDEV INHIBITORS LILLY ICOS LLC (US) 2003-01-03 WO disclosed
WO-2002098428-A1 TETRACYCLIC COMPOUNDS AS PDE5-INHIBITORS LILLY ICOS LLC (US) 2002-12-12 WO disclosed
EP-0895127-A2 Photoresist composition MITSUBISHI CHEMICAL CORPORATION (JP) 1999-02-03 EP disclosed