SCHEMBL9799254

SCHEMBL9799254

CCc1cc(N)c(CC)c(N)c1CC

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.38
HTT P42858 2/20 0.38
DHFR P00374 1/20 0.36
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
ALDH1A1 P00352 2/20 0.32
MAPT P10636 2/20 0.32
GRIN2D O15399 1/20 0.32
GRIN3B O60391 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2A Q12879 1/20 0.32
GRIN2B Q13224 1/20 0.32
GRIN2C Q14957 1/20 0.32
GRIN3A Q8TCU5 1/20 0.32
MAP4K1 Q92918 1/20 0.30
SMN1; SMN2 Q16637 1/20 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
SCHEMBL395350 0.87 HTT (0.41) POLBHTTDHFRNOS3NOS1
SCHEMBL12797845 0.86 HTT (0.42) POLBHTTDHFRNOS3NOS1
SCHEMBL6400103 0.86 POLB (0.38) POLBHTTDHFRNOS3NOS1
SCHEMBL394710 0.83 NOS3 (0.39) POLBHTTDHFRNOS3NOS1
SCHEMBL2963613 0.82 DHFR (0.38) POLBHTTDHFRNOS3NOS1
SCHEMBL29488043 0.82 ALDH1A1 (0.37) POLBHTTDHFRNOS3NOS1
SCHEMBL15270 0.82 ALDH1A1 (0.37) POLBHTTDHFRNOS3NOS1
SCHEMBL103249 0.81 POLB (0.38) POLBHTTDHFRNOS3NOS1
SCHEMBL8153959 0.81 HTT (0.42) POLBHTTDHFRNOS3NOS1
Hydrochloric Acid SCHEMBL4771781 0.79 HTT (0.41) POLBHTTDHFRNOS3NOS1

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-1304165-A None JP disclosed
WO-2023176703-A1 COMPOUND, CURABLE RESIN COMPOSITION AND CURED PRODUCT 株式会社ADEKA 2023-09-21 WO disclosed
WO-2023074450-A1 CLATHRATE COMPOUND, EPOXY RESIN CURING AGENT, AND CURABLE RESIN COMPOSITION 株式会社ADEKA 2023-05-04 WO disclosed
CN-112384545-B Elastomeric polyurethane foams and process for producing the same 巴斯夫欧洲公司 2023-01-24 CN disclosed
WO-2022168666-A1 CURABLE RESIN COMPOSITION 株式会社ADEKA 2022-08-11 WO disclosed
WO-2022168665-A1 NOVEL COMPOUND, AND CURABLE RESIN COMPOSITION CONTAINING SAID COMPOUND 株式会社ADEKA 2022-08-11 WO disclosed
WO-2022168670-A1 CHARGE TRANSFER COMPLEX 株式会社ADEKA 2022-08-11 WO disclosed
CN-102199393-B Surface coating comoound and coating method for a plate LEE JAE-HUN 2015-02-04 CN disclosed
EP-0228190-B1 RIM POLYURETHANES COMPRISING MIXED DIAMINE CHAIN EXTENDERS AND PROCESS AND COMPOSITION FOR THEIR PRODUCTION ETHYL CORPORATION (US) 1991-02-27 EP disclosed
EP-0366297-A2 Filled sprayed polyurea elastomers TEXACO DEVELOPMENT CORPORATION (US) 1990-05-02 EP disclosed
EP-0353785-A2 Manufacture of polyurethane foam IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-02-07 EP disclosed
JP-H01304165-A ADHESIVE COMPOSITION YOKOHAMA RUBBER CO LTD:THE 1989-12-07 JP disclosed
EP-0309218-A1 Manufacture of polyurethane foam IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1989-03-29 EP disclosed
EP-0309217-A1 Manufacture of polyurethane foam IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1989-03-29 EP disclosed
EP-0228190-A2 RIM polyurethanes comprising mixed diamine chain extenders and process and composition for their production ETHYL CORPORATION (US) 1987-07-08 EP disclosed
US-4631298-A REACTION INJECTION MOLDING POLYURETHANES ETHYL CORPORATION (US) 1986-12-23 US disclosed
US-4456541-A Antioxidant diamine ETHYL CORPORATION (US) 1984-06-26 US disclosed