SCHEMBL7167397

SCHEMBL7167397

CCCCCCCCCCCCCCCCCCN(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 0.66
HDAC3 O15379 4/20 0.54
HDAC1 Q13547 4/20 0.54
HDAC2 Q92769 4/20 0.54
HDAC8 Q9BY41 4/20 0.54
NCOR2 Q9Y618 2/20 0.54
OPRM1 P35372 3/20 0.54
DRD3 P35462 3/20 0.54
DRD2 P14416 2/20 0.54
OPRD1 P41143 2/20 0.54
OPRK1 P41145 2/20 0.54
BCHE P06276 2/20 0.53
ACHE P22303 2/20 0.53
MAPT P10636 1/20 0.52
MAOB P27338 1/20 0.51
HDAC4 P56524 2/20 0.51
HDAC7 Q8WUI4 2/20 0.51
HDAC10 Q969S8 2/20 0.51
HDAC11 Q96DB2 2/20 0.51
HDAC6 Q9UBN7 2/20 0.51

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
SCHEMBL8628519 1.00 KCNH2 (0.66) KCNH2HDAC3HDAC1HDAC2HDAC8
SCHEMBL11816138 1.00 KCNH2 (0.66) KCNH2HDAC3HDAC1HDAC2HDAC8
SCHEMBL7231682 1.00 KCNH2 (0.66) KCNH2HDAC3HDAC1HDAC2HDAC8
SCHEMBL8086700 1.00 KCNH2 (0.66) KCNH2HDAC3HDAC1HDAC2HDAC8
SCHEMBL11097968 1.00 KCNH2 (0.66) KCNH2HDAC3HDAC1HDAC2HDAC8
SCHEMBL15933358 1.00 KCNH2 (0.66) KCNH2HDAC3HDAC1HDAC2HDAC8
SCHEMBL11094954 1.00 KCNH2 (0.66) KCNH2HDAC3HDAC1HDAC2HDAC8
Hydrochloric Acid SCHEMBL11818106 0.98 KCNH2 (0.64) KCNH2HDAC3HDAC1HDAC2HDAC8
Hydrochloric Acid SCHEMBL5907917 0.98 KCNH2 (0.64) KCNH2HDAC3HDAC1HDAC2HDAC8
Bromide SCHEMBL28674611 0.98 KCNH2 (0.64) KCNH2HDAC3HDAC1HDAC2HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0383089-B1 Cold curing reactive resin blend and its use BAYER AG (DE) 1994-04-06 EP claimed
US-5084544-A Reaction of polyepoxides and polyisocyanates to form polyurethanes BAYER AKTIENGESELLSCHAFT (DE) 1992-01-28 US claimed
US-4450114-A Process for production of sulfuric acid semiesters SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1984-05-22 US claimed
US-4351765-A Process for the production of compounds having in the molecule at least one β-sulfatoethyl-sulfone group and at least one sulfonic acid group SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1982-09-28 US claimed
US-4224416-A Degradable plastic composition containing amine OWENS-ILLINOIS, INC. (US) 1980-09-23 US claimed
US-3966594-A SOLVENT EXTRACTION WITH TERTIERY AMINE AND ALKALI SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1976-06-29 US claimed
CN-101687655-A Organized clay complex, method for producing the same, and resin complex containing organized clay complex SHOWA DENKO KK 2010-03-31 CN disclosed
CN-1253498-C Polyolefin resin composition SEKISUI CHEMICAL CO LTD (JP) 2006-04-26 CN disclosed
CN-1154687-C Rubber composition and preumatic tire ������������ʽ���� 2004-06-23 CN disclosed
US-6630434-B2 A low viscosity aqueous cleaner diluted to high viscosity to cling to vertical walls; rod micelle thickener of an amine oxide or quaternary ammonium compound, a glycol monoether; alkalinity; sequestering; baked on foods; low temperature ECOLAB INC. 2003-10-07 US disclosed
EP-0846724-B1 RUBBER COMPOSITION AND PNEUMATIC TIRE BRIDGESTONE CORP (JP) 2003-08-20 EP disclosed
EP-0857752-B1 RUBBER COMPOSITION AND PNEUMATIC TIRE MADE BY USING THE SAME BRIDGESTONE CORP (JP) 2003-07-23 EP disclosed
US-6559209-B1 Method of making a rubber composition which is improved in a dispersibility of silica into rubber, a heat generating property and an abrasion property. The rubber composition comprises 15 to 85 parts by weight of silica per 100 parts of BRIDGESTONE CORPORATION (JP) 2003-05-06 US disclosed
US-4853146-A Thickening compositions and thickened aqueous acid solutions AKZO N.V. (NL) 1989-08-01 US disclosed
EP-0276501-A2 Thickening compositions and thickened aqueous acid solutions Akzo Nobel N.V. (NL) 1988-08-03 EP disclosed
US-4450114-A Process for production of sulfuric acid semiesters SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1984-05-22 US disclosed
US-4351765-A Process for the production of compounds having in the molecule at least one β-sulfatoethyl-sulfone group and at least one sulfonic acid group SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1982-09-28 US disclosed
US-4224416-A Degradable plastic composition containing amine OWENS-ILLINOIS, INC. (US) 1980-09-23 US disclosed
US-4020232-A COATINGS OF AN AMINE DERIVATIVE AND A LEUCO DYE CAPABLE OF REACTING WITH SAID AMINE MITSUBISHI PAPER MILLS, LTD. (JA) 1977-04-26 US disclosed
US-3966594-A SOLVENT EXTRACTION WITH TERTIERY AMINE AND ALKALI SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1976-06-29 US disclosed