SCHEMBL3399045

SCHEMBL3399045

O=C(O)c1cn(C2CC2)c2ccccc2c1=O

nearest known ligand 0.86

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.86
MEN1 O00255 1/20 0.67
KMT2A Q03164 1/20 0.67
LMNA P02545 3/20 0.54
ALDH1A1 P00352 4/20 0.52
HPGD P15428 3/20 0.52
HSD17B10 Q99714 3/20 0.52
GAA P10253 1/20 0.52
TOP2A P11388 4/20 0.49
TOP2B Q02880 4/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
OPRM1 P35372 1/20 0.47
OPRD1 P41143 1/20 0.47
OPRK1 P41145 1/20 0.47
OPRL1 P41146 1/20 0.47
MAPT P10636 1/20 0.46
CHRM1 P11229 1/20 0.45

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
SCHEMBL30906933 1.00 KDM4E (0.86) KDM4EMEN1KMT2ALMNAALDH1A1
SCHEMBL30906932 1.00 KDM4E (0.86) KDM4EMEN1KMT2ALMNAALDH1A1
SCHEMBL2679599 0.93 KDM4E (1.00) KDM4EMEN1KMT2ALMNAALDH1A1
SCHEMBL30417603 0.90 KDM4E (0.76) KDM4EMEN1KMT2ALMNAALDH1A1
SCHEMBL12486470 0.89 KDM4E (0.69) KDM4EMEN1KMT2ALMNAALDH1A1
SCHEMBL29398114 0.83 MEN1 (0.64) KDM4EMEN1KMT2ALMNAALDH1A1
SCHEMBL22843751 0.83 MEN1 (0.64) KDM4EMEN1KMT2ALMNAALDH1A1
SCHEMBL4701897 0.83 KDM4E (0.62) KDM4EMEN1KMT2ALMNAALDH1A1
SCHEMBL30416704 0.82 KDM4E (0.64) KDM4EMEN1KMT2ALMNAALDH1A1
SCHEMBL10862667 0.81 KDM4E (0.60) KDM4EMEN1KMT2ALMNAALDH1A1

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
WO-2010015703-A2 NOVEL 6-O-SUBSTITUTED 15-MEMBERED 8A- AND 9A-LACTAMS GLAXOSMITHKLINE ISTRAZIVACKI CENTAR ZAGREB D.O.O. (HR) 2010-02-11 WO claimed
EP-0121727-B1 BACTERICIDAL AGENT BASED ON QUINOLONECARBOXYLIC ACIDS BAYER AG (DE) 1986-09-24 EP claimed
US-4563448-A PHYTOPATHOGENS BAYER AKTIENGESELLSCHAFT (DE) 1986-01-07 US claimed
JP-6279411-A None JP disclosed
CN-118047721-A Quinoline carboxylic acid derivative and application thereof 沈阳中化农药化工研发有限公司 2024-05-17 CN disclosed
CN-101316853-B Benzothiazole and thiazolopyridine as SIRTUIN modulators SIRTRIS PHARMACEUTICALS INC 2014-09-24 CN disclosed
CN-103145738-A Imidazo [2,1-b] thiayole derivatives as SIRTUIN modulating compounds SIRTRIS PHARMACEUTICALS INC 2013-06-12 CN disclosed
WO-2010015703-A2 NOVEL 6-O-SUBSTITUTED 15-MEMBERED 8A- AND 9A-LACTAMS GLAXOSMITHKLINE ISTRAZIVACKI CENTAR ZAGREB D.O.O. (HR) 2010-02-11 WO disclosed
EP-1304329-B1 Pyridonecarboxylic acid derivatives and their use as antibacterial agents DAIICHI SANKYO CO LTD (JP) 2008-10-15 EP disclosed
US-6034100-A THERAPY FOR RHEUMATIC ARTHRITIS, ADULTRESPIRATORY DISTRESS SYNDRONE, AUTOIMMUNE DISEASES, INFLAMMATION OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2000-03-07 US disclosed
JP-H06279411-A QUINOLINECARBOXYLIC ACID DERIVATIVE BAYER AG 1994-10-04 JP disclosed
US-4703047-A 1-Cyclopropyl-1,4-dihydro-4-oxo-7-(4-(2-oxo-1,3-dioxol-4-yl-methyl)-1-piperazinyl)-3-quinolinecarboxylic acid antibacterial agents BAYER AKTIENGESELLSCHAFT (DE) 1987-10-27 US disclosed
EP-0121727-B1 BACTERICIDAL AGENT BASED ON QUINOLONECARBOXYLIC ACIDS BAYER AG (DE) 1986-09-24 EP disclosed
US-4599334-A 7-(3-aryl-1-piperazinyl)- and 7-(3-cyclohexyl-1-piperazinyl)-3-quinolonecarboxylic acid antibacterials BAYER AKTIENGESELLSCHAFT (DE) 1986-07-08 US disclosed
EP-0168733-A2 Process for the preparation of quinolinone and naphthyridoncarboxylic acids BAYER AG (DE) 1986-01-22 EP disclosed
US-4563448-A PHYTOPATHOGENS BAYER AKTIENGESELLSCHAFT (DE) 1986-01-07 US disclosed
US-4563459-A FUNGICIDES AND BACTERICIDES FOR AGRICULTURAL USE BAYER AKTIENGESELLSCHAFT (DE) 1986-01-07 US disclosed
US-4563448-A PHYTOPATHOGENS BAYER AKTIENGESELLSCHAFT (DE) 1986-01-07 US disclosed
EP-0121727-A1 Bactericidal agent based on quinolonecarboxylic acids BAYER AG (DE) 1984-10-17 EP disclosed
EP-0117474-A1 Quinolone carboxylic acids, process for their preparation and antibacterial compositions containing them BAYER AG (DE) 1984-09-05 EP disclosed