SCHEMBL635874

SCHEMBL635874

Cc1cc(N=C=O)c(C(c2ccccc2)c2c(N=C=O)cc(C)cc2N=C=O)c(N=C=O)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.43
TRPA1 O75762 1/20 0.39
GAA P10253 4/20 0.33
ALDH1A1 P00352 3/20 0.33
TDP1 Q9NUW8 2/20 0.33
HPGD P15428 1/20 0.33
SLC6A2 P23975 2/20 0.32
SLC6A4 P31645 2/20 0.32
SLC6A3 Q01959 2/20 0.32
ACP3 P15309 1/20 0.32
MAPT P10636 2/20 0.31
MGAM O43451 2/20 0.31
SI P14410 2/20 0.31
MGAM2 Q2M2H8 2/20 0.31
LMNA P02545 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
BRD4 O60885 1/20 0.31
TACR1 P25103 2/20 0.30
MEN1 O00255 2/20 0.30
KMT2A Q03164 2/20 0.30

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
SCHEMBL4669249 0.81 CYP3A4 (0.41) CYP3A4TRPA1ALDH1A1TDP1HPGD
SCHEMBL4669250 0.79 CYP3A4 (0.50) CYP3A4TRPA1GAAACP3
SCHEMBL635875 0.78 CYP3A4 (0.41) CYP3A4TRPA1GAAALDH1A1TDP1
SCHEMBL9558693 0.74 CYP3A4 (0.44) CYP3A4TRPA1ALDH1A1TDP1HPGD
SCHEMBL7588864 0.74 CYP3A4 (0.44) CYP3A4TRPA1ALDH1A1TDP1HPGD
SCHEMBL23721637 0.72 CYP3A4 (0.45) CYP3A4TRPA1ALDH1A1TDP1HPGD
SCHEMBL300705 0.72 CYP3A4 (0.44) CYP3A4TRPA1GAAALDH1A1TDP1
SCHEMBL2836253 0.70 CYP3A4 (0.47) CYP3A4TRPA1GAAALDH1A1TDP1
SCHEMBL7659656 0.70 SLC6A2 (0.50) CYP3A4GAAALDH1A1HPGDSLC6A2
Toluene SCHEMBL27848754 0.70 CYP3A4 (0.61) CYP3A4TRPA1GAAALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118459436-A Preparation method and application of episulfide compound 益丰新材料股份有限公司 2024-08-09 CN claimed
CN-116425660-A Composition for optical material and method for producing optical material 益丰新材料股份有限公司 2023-07-14 CN claimed
CN-118459436-A Preparation method and application of episulfide compound 益丰新材料股份有限公司 2024-08-09 CN disclosed
CN-116143767-B Episulfide compound, composition for optical material, optical material and application 益丰新材料股份有限公司 2024-02-23 CN disclosed
CN-117126594-A Optical coating composition, optical coating and photovoltaic module comprising optical coating composition 浙江福斯特新材料研究院有限公司 2023-11-28 CN disclosed
CN-116478108-B Sulfur-containing heterocyclic compound, optical material composition and application thereof 益丰新材料股份有限公司 2023-10-13 CN disclosed
CN-116478148-B Episulfide compound and application thereof 益丰新材料股份有限公司 2023-10-13 CN disclosed
CN-116836156-A Compound and preparation method thereof, optical material composition and curing composition 益丰新材料股份有限公司 2023-10-03 CN disclosed
CN-116693790-A Composition for optical material and optical material 益丰新材料股份有限公司 2023-09-05 CN disclosed
CN-116478148-A Episulfide compound and application thereof 益丰新材料股份有限公司 2023-07-25 CN disclosed
CN-116478108-A Sulfur-containing heterocyclic compound, optical material composition and application thereof 益丰新材料股份有限公司 2023-07-25 CN disclosed
EP-1426392-A1 COMPOSITION FOR OPTICAL MATERIAL MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2004-06-09 EP disclosed
EP-1398317-A1 ALICYCLIC COMPOUND FOR OPTICAL MATERIAL MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2004-03-17 EP disclosed
US-20040026658-A1 Composition for optical material MITSUBISHI GAS CHEMICAL COMPANY INC. (JP) 2004-02-12 US disclosed
EP-1326095-A1 COMPOSITION FOR OPTICAL MATERIAL MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2003-07-09 EP disclosed
EP-1316819-A1 COMPOSITION FOR OPTICAL MATERIAL MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2003-06-04 EP disclosed
US-6472495-B1 RESIN PRODUCED BY CURING THE COMPOSITION BY POLYMERIZATION HAS AN EXCELLENT IMPACT RESISTANCE AND OPTICAL PROPERTIES, AND IS SUITABLE AS AN OPTICAL MATERIAL. POLYMERS WITH SULFIDE, SELINIUM AND TELLURIUM MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2002-10-29 US disclosed
EP-1099721-A1 Composition for producing resin MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2001-05-16 EP disclosed
US-5274023-A A diaper having a film also comprising a ethylene-1-butene or propylene copolymer having carboxy or epoxy groups and calcium carbonate DAINIPPON INK AND CHEMICALS, INC. (JP) 1993-12-28 US disclosed
US-4910073-A Bowling lane and method of repairing same DANIPPON INK AND CHEMICALS, INC. (JP) 1990-03-20 US disclosed