SCHEMBL1498799

SCHEMBL1498799

CC(C)Cc1c(N)ccc(N)c1CC(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.39
NOS1 P29475 1/20 0.39
NOS2 P35228 1/20 0.39
GABRA1 P14867 2/20 0.36
GABRB2 P47870 2/20 0.36
KDM4E B2RXH2 2/20 0.34
USP2 O75604 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
PARP1 P09874 1/20 0.34
EPHX1 P07099 1/20 0.33
SLC6A2 P23975 2/20 0.32
TAAR1 Q96RJ0 2/20 0.32
MAOA P21397 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
CYP2A6 P11509 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32

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
SCHEMBL1498797 0.82 GABRA1 (0.38) NOS3NOS1NOS2GABRA1GABRB2
SCHEMBL2399172 0.77 GABRA1 (0.52) NOS3NOS1NOS2GABRA1GABRB2
SCHEMBL6254407 0.77 GABRA1 (0.38) GABRA1GABRB2
SCHEMBL10426057 0.74 ALDH1A1 (0.40) GABRA1GABRB2KDM4EUSP2MAPT
SCHEMBL28458687 0.74 ALDH1A1 (0.34) NOS3NOS1NOS2KDM4EUSP2
Ammonia Solution, Strong SCHEMBL3633837 0.74 ALDH1A1 (0.45) GABRA1GABRB2PARP1SLC6A2TAAR1
SCHEMBL5186990 0.73 TSHR (0.35) NOS3NOS1NOS2
SCHEMBL22589694 0.73 ALDH1A1 (0.50) KDM4EMAPTTDP1SMN1; SMN2
SCHEMBL29391175 0.73 ALDH1A1 (0.50) KDM4EMAPTTDP1SMN1; SMN2
SCHEMBL7076400 0.73 IDO1 (0.40) HSD17B10ADORA2AMAPTTDP1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108192199-A PP/ABS alloy materials of high resistance to thermal deterioration and preparation method thereof 星威国际家居有限公司 2018-06-22 CN claimed
CN-107266284-A A kind of polymerization inhibitor and its preparation method and application 徐文忠 2017-10-20 CN claimed
JP-2011506452-A 2011-03-03 JP claimed
EP-2240559-A2 CYCLOALKYL PHENYLENEDIAMINES AS DEPOSIT CONTROL AGENTS FOR LUBRICANTS Chemtura Corporation (US) 2010-10-20 EP claimed
WO-2009076090-A2 CYCLOALKYL PHENYLENEDIAMINES AS DEPOSIT CONTROL AGENTS FOR LUBRICANTS CHEMTURA CORPORATION (US) 2009-06-18 WO claimed
CN-1217890-C Stabilised compositions comprising olefins NALCO EXXON ENERGY CHEMICALS C (US) 2005-09-07 CN claimed
CN-1328534-A Stabilised compositions comprising olefins NALCO EXXON ENERGY CHEMICALS C (US) 2001-12-26 CN claimed
CN-118076673-A Polyester film, flexible flat cable and wire harness 爱思开迈克沃有限公司 2024-05-24 CN disclosed
CN-113906070-B Acrylic acid ester copolymer, method for producing the same, friction inhibitor comprising the same, and lubricating oil composition containing the friction inhibitor 株式会社ADEKA 2023-10-24 CN disclosed
CN-116888183-A Thermosetting composition, electronic device and method for manufacturing electronic device 松下知识产权经营株式会社 2023-10-13 CN disclosed
CN-114174475-B Fuel composition for lean-burn engine 引能仕株式会社 2023-09-22 CN disclosed
CN-116554393-A Curable composition, film, laminate, and display device 住友化学株式会社 2023-08-08 CN disclosed
CN-112912406-B Curable composition, film, laminate, and display device 住友化学株式会社 2023-08-04 CN disclosed
CN-101035757-A Stabilizers for use in NVP synthesis BASF AG (DE) 2007-09-12 CN disclosed
CN-1720220-A Method for inhibiting polymerization during the recovery and purification of unsaturated mononitriles STANDARD OIL CO (US) 2006-01-11 CN disclosed
CN-1705872-A Method for determining the amount of polymer separated from acrylic acid and/or acrylic esters BASF AG (DE) 2005-12-07 CN disclosed
CN-1217890-C Stabilised compositions comprising olefins NALCO EXXON ENERGY CHEMICALS C (US) 2005-09-07 CN disclosed
CN-1328534-A Stabilised compositions comprising olefins NALCO EXXON ENERGY CHEMICALS C (US) 2001-12-26 CN disclosed
CN-1326431-A Method for continuous production of (METH) acrylic acid alkyl esters BASF AG (DE) 2001-12-12 CN disclosed
EP-0232907-A2 Heat-sensitive recording material KANZAKI PAPER MANUFACTURING COMPANY LIMITED (JP) 1987-08-19 EP disclosed