SCHEMBL2492770

SCHEMBL2492770

C(=Cc1ccccc1Nc1ccccc1C=Cc1ccccc1)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 4/20 0.54
TRPA1 O75762 2/20 0.54
SIGMAR1 Q99720 5/20 0.46
SNCA P37840 5/20 0.46
MAOB P27338 2/20 0.44
GRIN2D O15399 2/20 0.43
GRIN3B O60391 2/20 0.43
GRIN1 Q05586 2/20 0.43
GRIN2A Q12879 2/20 0.43
GRIN2B Q13224 2/20 0.43
GRIN2C Q14957 2/20 0.43
GRIN3A Q8TCU5 2/20 0.43
CYP19A1 P11511 1/20 0.43
MAOA P21397 1/20 0.43
SIRT2 Q8IXJ6 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
SCHEMBL2498783 0.90 SIRT2 (0.50) NFE2L2TRPA1SIGMAR1SNCAGRIN2D
SCHEMBL29740231 0.89 SIGMAR1 (0.54) NFE2L2TRPA1SIGMAR1SNCA
SCHEMBL2494333 0.88 SIRT2 (0.57) NFE2L2TRPA1SIGMAR1SNCAMAOB
SCHEMBL7527736 0.84 FABP4 (0.56) TRPA1SNCASIRT2
SCHEMBL3557004 0.83 NFE2L2 (0.50) NFE2L2TRPA1SIGMAR1SNCAMAOB
SCHEMBL5551231 0.82 NPC1 (0.53) NFE2L2TRPA1SIGMAR1SNCASIRT2
SCHEMBL5551227 0.82 NPC1 (0.53) NFE2L2TRPA1SIGMAR1SNCASIRT2
SCHEMBL8774884 0.80 NPC1 (0.51) NFE2L2TRPA1SIGMAR1SNCASIRT2
SCHEMBL44503 0.80 NFE2L2 (0.68) NFE2L2TRPA1MAOBCYP19A1MAOA
(Z)-1,2-Diphenylethene SCHEMBL7653143 0.80 NFE2L2 (0.68) NFE2L2TRPA1MAOBCYP19A1MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116655629-A Method for preparing compound and purification thereof for use as active pharmaceutical ingredient 拜耳医药股份有限公司 2023-08-29 CN disclosed
CN-116655627-A Method for preparing compound and purification thereof for use as active pharmaceutical ingredient 拜耳医药股份有限公司 2023-08-29 CN disclosed
CN-116655630-A Method for preparing compound and purification thereof for use as active pharmaceutical ingredient 拜耳医药股份有限公司 2023-08-29 CN disclosed
CN-106795155-B Method for preparing compound and purification thereof for use as active pharmaceutical ingredient 拜耳医药股份有限公司 2023-06-16 CN disclosed
EP-1730101-B1 ALKYLATED PANA AND DPA COMPOSITIONS BASF SE (DE) 2015-11-18 EP disclosed
US-8030259-B2 Antioxidant; heat resistance; photostability mixture; stabilization of material CIBA SPECIALITY CHEMICALS CORP. (US) 2011-10-04 US disclosed
EP-0805823-B1 VAPOR PHASE SYNTHESIS OF RUBBERY POLYMERS GOODYEAR TIRE & RUBBER (US) 2001-10-31 EP disclosed
EP-1116729-A2 Vapor phase synthesis of rubbery polymers THE GOODYEAR TIRE & RUBBER COMPANY (US) 2001-07-18 EP disclosed
EP-1116730-A2 Vapor phase synthesis of rubbery polymers THE GOODYEAR TIRE & RUBBER COMPANY (US) 2001-07-18 EP disclosed
US-6066705-A Vapor phase synthesis of cis-1, 4-Polyisoprene THE GOODYEAR TIRE & RUBBER COMPANY (US) 2000-05-23 US disclosed
US-5919876-A SOLUTION POLYMERIZATION; PREFORMED CATALYST SYSTEM MADE BY REACTING AN ORGANOALUMINUM COMPOUND WITH TITANIUM TETRAHALIDE IN THE PRESENCE OF AT LEAST ONE ETHER; STYRENATED DIPHENYLAMINE THE GOODYEAR TIRE & RUBBER COMPANY (US) 1999-07-06 US disclosed
US-5859156-A CHARGING INTO REACTION ZONE ISOPRENE AND CATALYST SYSTEM MADE BY REACTING ORGANOALUMINUM COMPOUND AND TITANIUM TETRACHLORIDE IN PRESENCE OF ETHER, POLYMERIZING IN VAPOR PHASE IN PRESENCE OF DIARYLAMINE, WITHDRAWING CIS-1,4-POLYISOPRENE THE GOODYEAR TIRE & RUBBER COMPANY (US) 1999-01-12 US disclosed
US-5652304-A Vapor phase synthesis of rubbery polymers THE GOODYEAR TIRE & RUBBER COMPANY (US) 1997-07-29 US disclosed
US-5451646-A P-styrenated diphenylamine, nickel, aluminum, fluorine catalyst THE GOODYEAR TIRE & RUBBER COMPANY (US) 1995-09-19 US disclosed