SCHEMBL1638461

SCHEMBL1638461

C=Cc1cnc(C)c(CC)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDXK O00764 2/20 0.43
NOS3 P29474 1/20 0.37
NOS1 P29475 1/20 0.37
NOS2 P35228 1/20 0.37
PARP1 P09874 1/20 0.34
PTGS2 P35354 1/20 0.33
KDM4E B2RXH2 2/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
KMT2A Q03164 1/20 0.33
AOX1 Q06278 1/20 0.33
TP53 P04637 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
TRIM24 O15164 1/20 0.32
TRIM33 Q9UPN9 1/20 0.32
AXL P30530 1/20 0.31
MERTK Q12866 1/20 0.31
HDAC8 Q9BY41 1/20 0.31

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
SCHEMBL28342562 0.98 PDXK (0.42) PDXKNOS3NOS1NOS2PARP1
Pyridine SCHEMBL28135535 0.87 PDXK (0.36) PDXKNOS3NOS1NOS2PARP1
SCHEMBL30821218 0.78 PDXK (0.39) PDXKNOS3NOS1NOS2PARP1
SCHEMBL27223285 0.78 PDXK (0.39) PDXKNOS3NOS1NOS2PARP1
SCHEMBL29419055 0.77 PDXK (0.39) PDXKPARP1ALDH1A1TP53TDP1
SCHEMBL35528 0.77 PDXK (0.39) PDXKPARP1ALDH1A1TP53TDP1
SCHEMBL22165795 0.75 NOS3 (0.48) PDXKNOS3NOS1NOS2KDM4E
SCHEMBL9797914 0.75 PDXK (0.38) PDXKPARP1ALDH1A1TP53TDP1
SCHEMBL12231773 0.74 NOS3 (0.33) PDXKNOS3NOS1NOS2KDM4E
SCHEMBL12240485 0.74 NOS3 (0.42) PDXKNOS3NOS1NOS2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005100426-A1 A NANOPARTICLE OF CORE-SHELL TYPE, A METHOD FOR PREPARING THE SAME, A METHOD FOR PREPARING A LOW DIELECTRIC INSULATION FILM BY USING THE SAME, AND A LOW DIELECTRIC INSULATION FILM PREPARED THEREFROM POSTECH FOUNDATION (KR) 2005-10-27 WO claimed
EP-1015532-B1 METHOD FOR IMPROVING LOW-TEMPERATURE FLUIDITY OF LUBRICATING OILS USING HIGH- AND LOW-MOLECULAR WEIGHT POLYMER ADDITIVE MIXTURES ROHMAX ADDITIVES GMBH (DE) 2004-11-17 EP claimed
CN-1104487-C Method for improving low temperature flow of lubricating oils using high and low molecular weight polymer additive mixtures ROEMM ROHMAX HOLDING GMBH (DE) 2003-04-02 CN claimed
EP-3928779-A1 PHARMACEUTICAL CONTAINING SODIUM-DEPENDENT PHOSPHATE TRANSPORTER INHIBITOR AND PHOSPHORUS ADSORBENT FOR USE IN THE PREVENTION, TREATMENT OR SUPPRESSION OF CHRONIC KIDNEY DISEASE, ARTERIOSCLEROSIS ASSOCIATED WITH VASCULAR CALCIFICATION, OR ECTOPIC CALCIFICATION. Chugai Seiyaku Kabushiki Kaisha (JP) 2021-12-29 EP disclosed
US-11065607-B2 Vinylpyridine resin for catalyst supports, production method therefor, and catalyst for methanol carbonylation reaction CHIYODA CORPORATION (JP) 2021-07-20 US disclosed
CN-108778496-B Vinylpyridine resin for catalyst carrier, process for producing the same, and catalyst for carbonylation of methanol 千代田化工建设株式会社 2021-05-28 CN disclosed
EP-3747540-A1 VINYLPYRIDINE RESIN FOR CATALYST CARRIERS AND METHOD OF MANUFACTURING THE SAME Chiyoda Corporation (JP) 2020-12-09 EP disclosed
CN-108950645-B Aluminum and aluminum alloy anodic oxidation nickel-free sealing agent 上海铝通化学科技有限公司 2020-10-23 CN disclosed
US-20200290028-A1 VINYLPYRIDINE RESIN FOR CATALYST SUPPORTS, PRODUCTION METHOD THEREFOR, AND CATALYST FOR METHANOL CARBONYLATION REACTION CHIYODA CORPORATION (JP) 2020-09-17 US disclosed
US-10754249-B2 Coating compositions for photolithography ROHM AND HAAS ELECTRONIC MATERIALS LLC (US) 2020-08-25 US disclosed
EP-2631010-B1 VINYLPYRIDINE RESIN FOR CATALYST CARRIERS AND METHOD OF MANUFACTURING THE SAME CHIYODA CORP (JP) 2020-08-05 EP disclosed
US-4297220-A WHEREIN THE COPOLYMER IS A CROSSLINKED ADDITION POLYMER ROHM AND HAAS COMPANY (US) 1981-10-27 US disclosed
US-4256840-A Macroreticular cation exchange beads and preparation of same ROHM AND HAAS COMPANY (US) 1981-03-17 US disclosed
US-4224415-A Polymerization processes and products therefrom ROHM AND HAAS COMPANY (US) 1980-09-23 US disclosed
US-4221871-A ADSORBENTS ROHM AND HAAS COMPANY (US) 1980-09-09 US disclosed
US-4131563-A Process of preparing substantially solid waste containing radioactive or toxic substances for safe, non-pollutive handling, transportation and permanent storage STEAG KERNENERGIE G.M.B.H. (DE) 1978-12-26 US disclosed
US-4113845-A ION EXCHANGE UNION CARBIDE CORPORATION (US) 1978-09-12 US disclosed
US-4009116-A Process of preparing substantially organic waste liquids containing radioactive or toxic substances for safe, non-pollutive handling, transportation and permanent storage BAYER AKTIENGESELLSCHAFT (DT) 1977-02-22 US disclosed
US-3975205-A ION EXCHANGING SUDDEUTSCHE ZUCKER-AKTIENGESELLSCHAFT (DT) 1976-08-17 US disclosed
US-3968199-A FROM SILICON HYDROGEN TRICHLORIDE, ION EXCHANGE RESIN UNION CARBIDE CORPORATION (US) 1976-07-06 US disclosed