SCHEMBL1004375

SCHEMBL1004375

C=Cc1ccccc1C(N)=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
KDM4E B2RXH2 5/20 0.50
HPGD P15428 4/20 0.50
MAPT P10636 2/20 0.50
TSHR P16473 1/20 0.50
HSD17B10 Q99714 1/20 0.50
METAP2 P50579 1/20 0.47
BCAT2 O15382 1/20 0.45
LMNA P02545 2/20 0.45
HTT P42858 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
AKR1C3 P42330 1/20 0.42
AKR1C2 P52895 1/20 0.42
AKR1C1 Q04828 1/20 0.42
PARP1 P09874 1/20 0.42
GAA P10253 1/20 0.41
CTNNB1 P35222 1/20 0.41
SIRT1 Q96EB6 1/20 0.41
IRAK4 Q9NWZ3 1/20 0.40
NPC1 O15118 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
SCHEMBL30053495 0.98 ALDH1A1 (0.48) ALDH1A1KDM4EHPGDMAPTTSHR
Acrylamide SCHEMBL10534971 0.94 ALDH1A1 (0.45) ALDH1A1KDM4EHPGDMAPTTSHR
Styrene SCHEMBL4566718 0.91 ALDH1A1 (0.50) ALDH1A1KDM4EHPGDMAPTTSHR
SCHEMBL15668290 0.84 BCAT2 (0.53) ALDH1A1KDM4EHPGDMAPTTSHR
Styrene SCHEMBL28389934 0.83 ALDH1A1 (0.50) ALDH1A1KDM4EHPGDMAPTTSHR
SCHEMBL8579469 0.82 ALDH1A1 (0.54) ALDH1A1KDM4EHPGDMAPTTSHR
SCHEMBL1415250 0.82 ALDH1A1 (0.54) ALDH1A1KDM4EHPGDMAPTTSHR
SCHEMBL38132 0.82 ALDH1A1 (0.44) ALDH1A1KDM4EHPGDMAPTTSHR
SCHEMBL6693580 0.82 CES2 (0.44) ALDH1A1HPGDTSHRHSD17B10LMNA
SCHEMBL6405798 0.82 PARP1 (0.43) ALDH1A1KDM4EHPGDMAPTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118085874-A Solar geological engineering material and preparation method and application thereof 成都理工大学 2024-05-28 CN claimed
EP-4349477-A1 HYBRID GRAFTED AND HYPERBRANCHED ANION EXCHANGERS Dionex Corporation (US) 2024-04-10 EP claimed
US-20240110026-A1 HYBRID GRAFTED AND HYPERBRANCHED ANION EXCHANGERS DIONEX CORPORATION 2024-04-04 US claimed
CN-117718084-A Grafted and hyperbranched mixed anion exchangers 戴安公司 2024-03-19 CN claimed
CN-116425474-A Building curtain wall and construction method and application thereof 中国建材国际工程集团有限公司 2023-07-14 CN claimed
EP-3898631-B1 NOVEL IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIALS HOFFMANN LA ROCHE (CH) 2023-01-18 EP claimed
WO-2022155419-A1 INDAZOLES AND AZAINDAZOLES AS LRRK2 INHIBITORS ESCAPE Bio, Inc. (US) 2022-07-21 WO claimed
CN-114347436-A High-adhesion concave-convex die vacuum-pumping forming process 扬州市拓博塑业有限公司 2022-04-15 CN claimed
CN-114057639-A 2-aryl pentadienoate containing terminal olefin and synthesis method thereof 杭州师范大学 2022-02-18 CN claimed
CN-109503456-B Vinylbenzylimide resin, method for preparing the same, prepolymer thereof, resin composition, and article thereof 台光电子材料股份有限公司 2020-08-04 CN claimed
CN-106104268-A Lithium reagent composition, use have lithium ion assay method and the determinator of said composition 梅托珍尼克斯株式会社 2016-11-09 CN claimed
CN-105884078-A Chemical nickel waste water treating method 漆雅丽 2016-08-24 CN claimed
EP-1899050-A2 POLAR FUNCTIONIZED POLYMER MODIFIED POROUS SUBSTRATE FOR SOLID PHASE EXTRACTION Varian, Inc. (US) 2008-03-19 EP claimed
WO-2006118887-A2 POLAR FUNCTIONIZED POLYMER MODIFIED POROUS SUBSTRATE FOR SOLID PHASE EXTRACTION VARIAN, INC. (US) 2006-11-09 WO claimed
US-20060247361-A1 Polar functionalized polymer modified porous substrate for solid phase extraction VARIAN, INC. 2006-11-02 US claimed
US-20060160089-A1 Fixing agents, method of fixing substance with the same, and substrate having sustance fixed thereto with the same KANAGAWA ACADEMY OF SCIENCE AND TECHNOLOGY (JP) 2006-07-20 US claimed
EP-1615034-A1 FIXING AGENTS, METHOD OF FIXING SUBSTANCE WITH THE SAME, AND SUBSTRATE HAVING SUBSTANCE FIXED THERETO WITH THE SAME KANAGAWA ACADEMY OF SCIENCE AND TECHNOLOGY (JP) 2006-01-11 EP claimed
US-6878672-B2 Herbicidal emulsion compositions TOKUYAMA CORPORATION (JP) 2005-04-12 US claimed
CN-1034684-C Cooling water corrosion inhibition method NALCO CHEMICAL CO (US) 1997-04-23 CN claimed
CN-87103379-A Method for inhibiting corrosion of cooling water 1987-12-16 CN claimed