SCHEMBL9455488

SCHEMBL9455488

CN1C(=O)CCC2=C1CCCC2=O

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 5/20 0.46
SRD5A2 P31213 1/20 0.41
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
RUNX1 Q01196 1/20 0.36
CBFB Q13951 1/20 0.36
HKDC1 Q2TB90 1/20 0.36
BRD4 O60885 1/20 0.32
BRD2 P25440 1/20 0.32
CYP11B2 P19099 3/20 0.32
CYP11B1 P15538 1/20 0.32
PLK1 P53350 1/20 0.32
CSNK2A1 P68400 1/20 0.32
PLK3 Q9H4B4 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
SCHEMBL11237446 0.75 KDM4E (0.33) KDM4EALDH1A1GAAMAPTHPGD
SCHEMBL9803355 0.75 ALDH1A1 (0.40) KDM4EALDH1A1GAAMAPTHPGD
SCHEMBL9803144 0.75 KDM4E (0.33) KDM4EALDH1A1GAAMAPTHPGD
SCHEMBL9802927 0.73 MGLL (0.42) KDM4EMAPT
SCHEMBL9802715 0.72 HTT (0.36) ALDH1A1
SCHEMBL9803448 0.69 MAPT (0.33) KDM4EALDH1A1GAAMAPTHPGD
SCHEMBL1764554 0.69 MEN1 (0.35) HPGD
SCHEMBL1764564 0.69 MEN1 (0.35) HPGD
SCHEMBL261177 0.69
SCHEMBL10494975 0.68 BRD4 (0.38) KDM4EALDH1A1GAAMAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0338228-A2 Use of quinoline-2,5-diones in a medicament having an analgesic, antipyretic and/or antiphlogistic activity Dr. Karl Thomae GmbH (DE) 1989-10-25 EP claimed
US-5216164-A Used for relieving memory dysfunction such as Alzheimer's disease HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1993-06-01 US disclosed
US-5068334-A Analgesics and antipyretics KARL THOMAE GMBH (DE) 1991-11-26 US disclosed
EP-0338228-A2 Use of quinoline-2,5-diones in a medicament having an analgesic, antipyretic and/or antiphlogistic activity Dr. Karl Thomae GmbH (DE) 1989-10-25 EP disclosed
US-4329468-A ADRENERGIC BLOCKING AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1982-05-11 US disclosed
US-4256890-A ADRENERGIC BLOCKING AGENTS OTSUKAPHARMACEUTICAL CO., LTD. (JP) 1981-03-17 US disclosed