SCHEMBL735682

SCHEMBL735682

CN(C)c1ccc(P(c2ccc(N(C)C)cc2)c2ccc(N(C)C)cc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.65
TSHR P16473 6/20 0.65
ALOX15 P16050 4/20 0.65
HSD17B10 Q99714 4/20 0.65
MAPK1 P28482 5/20 0.50
CYP3A4 P08684 3/20 0.50
TDP1 Q9NUW8 3/20 0.50
TP53 P04637 2/20 0.50
MAPT P10636 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HPGD P15428 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
SLC2A1 P11166 1/20 0.44
HIF1A Q16665 1/20 0.44
CYP2A6 P11509 1/20 0.44
CYP2A13 Q16696 1/20 0.44
CHRM5 P08912 1/20 0.43
CHKA P35790 1/20 0.43
HBB P68871 1/20 0.42

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
SCHEMBL15657282 1.00 ALDH1A1 (0.65) ALDH1A1TSHRALOX15HSD17B10MAPK1
SCHEMBL15732366 0.90 ALDH1A1 (0.71) ALDH1A1TSHRALOX15HSD17B10MAPK1
SCHEMBL135145 0.90 TDP1 (0.57) ALDH1A1TSHRALOX15HSD17B10MAPK1
SCHEMBL9838144 0.90 TDP1 (0.57) ALDH1A1TSHRALOX15HSD17B10MAPK1
SCHEMBL16965834 0.88 TDP1 (0.55) ALDH1A1TSHRALOX15HSD17B10MAPK1
SCHEMBL31325538 0.88 TDP1 (0.55) ALDH1A1TSHRALOX15HSD17B10MAPK1
Iodide SCHEMBL29884191 0.88 TDP1 (0.55) ALDH1A1TSHRALOX15HSD17B10MAPK1
Hydrochloric Acid SCHEMBL9007656 0.88 TDP1 (0.55) ALDH1A1TSHRALOX15HSD17B10MAPK1
Perchlorate SCHEMBL11047714 0.88 ALDH1A1 (0.50) ALDH1A1TSHRALOX15HSD17B10MAPK1
SCHEMBL16965836 0.88 TDP1 (0.55) ALDH1A1TSHRALOX15HSD17B10MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114539133-B Method for preparing prucalopride intermediate 1- (3-methoxypropyl) -4-piperidinamine 鲁南制药集团股份有限公司 2024-09-20 CN claimed
CN-114213652-B Preparation method of vinyl-terminated polyphenyl ether compound 河北健馨生物科技有限公司 2023-08-08 CN claimed
CN-114573422-B Treatment method of 3-methyl-3-butene-1-ol process waste liquid 万华化学集团股份有限公司 2023-03-21 CN claimed
CN-110330485-B Indeno isoquinoline compounds and preparation method thereof 中国科学技术大学 2023-03-10 CN claimed
CN-115703733-A Preparation method of prucalopride intermediate 山东新时代药业有限公司 2023-02-17 CN claimed
CN-110359097-B Method for obtaining On-DNA aromatic hydrocarbon compound through Suzuki coupling reaction in construction of DNA coding compound library 上海药明康德新药开发有限公司 2022-09-20 CN claimed
CN-111518228-B Preparation method of sugammadex sodium 鲁南制药集团股份有限公司 2022-08-05 CN claimed
CN-114573422-A Treatment method of 3-methyl-3-butene-1-ol process waste liquid 万华化学集团股份有限公司 2022-06-03 CN claimed
CN-110331447-B Method for preparing On-DNA aryl alkyne compound in construction of DNA coding compound library 上海药明康德新药开发有限公司 2022-05-27 CN claimed
CN-114539133-A Method for preparing prucalopride intermediate 1- (3-methoxypropyl) -4-piperidinamine 鲁南制药集团股份有限公司 2022-05-27 CN claimed
EP-1321494-B1 Curable resin compositions and process for preparing oligomers and polymers having acryloyl groups, substituted methacrylate groups and beta-dicarbonyl groups DAINIPPON INK & CHEMICALS (JP) 2005-07-13 EP claimed
US-20050119361-A1 Curable resin compositions and process for preparing oligomers containing acrylate groups and substituted methacrylate groups DAINIPPON INK AND CHEMICALS, INC. (JP) 2005-06-02 US claimed
US-20050107487-A1 Curable resin compositions and process for preparing oligomers and polymers having acryloyl groups, substituted methacrylate groups and beta-dicarbonyl groups DAINIPPON INK AND CHEMICALS, INC. (JP) 2005-05-19 US claimed
EP-1323748-B1 Curable resin compositions and process for preparing oligomers containing acrylate groups and substituted methacrylate groups DAINIPPON INK & CHEMICALS (JP) 2004-11-10 EP claimed
US-20030195317-A1 Curable resin compositions and process for preparing oligomers and polymers having acryloyl groups, substituted methacrylate groups and beta-dicarbonyl groups DAINIPPON INK AND CHEMICALS, INC. (JP) 2003-10-16 US claimed
US-20030171523-A1 Curable resin compositions and process for preparing oligomers containing acrylate groups and substituted methacrylate groups DAINIPPON INK AND CHEMICALS, INC. (JP) 2003-09-11 US claimed
EP-1323748-A1 Curable resin compositions and process for preparing oligomers containing acrylate groups and substituted methacrylate groups DAINIPPON INK AND CHEMICALS, INC. (JP) 2003-07-02 EP claimed
EP-1321494-A1 Curable resin compositions and process for preparing oligomers and polymers having acryloyl groups, substituted methacrylate groups and beta-dicarbonyl groups DAINIPPON INK AND CHEMICALS, INC. (JP) 2003-06-25 EP claimed
EP-0567677-A1 Process for the preparation of diarylcarbonates THE DOW CHEMICAL COMPANY (US) 1993-11-03 EP claimed
US-4013715-A PROCESS FOR THE MANUFACTURE OF 2-HALO-ETHANE-PHOSPHONIC ACID DIHALIDES AND VINYL-PHOSPHONIC ACID DIHALIDES HOECHST AKTIENGESELLSCHAFT (DT) 1977-03-22 US claimed