SCHEMBL9803002

SCHEMBL9803002

Cc1c2c(n(C)c(=O)c1C)CCCC2=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.41
CSNK2A1 P68400 3/20 0.37
PLK1 P53350 1/20 0.37
PLK3 Q9H4B4 1/20 0.37
HDAC1 Q13547 2/20 0.35
HDAC6 Q9UBN7 2/20 0.35
BUB1 O43683 1/20 0.35
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 2/20 0.35
PKM P14618 1/20 0.35
TSHR P16473 4/20 0.34
PTK2 Q05397 1/20 0.34
OPRM1 P35372 1/20 0.33
MAPK1 P28482 1/20 0.33
UBE2N P61088 1/20 0.33
CSNK2B P67870 2/20 0.33
CSNK2A2 P19784 1/20 0.33
ABCG2 Q9UNQ0 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
MEN1 O00255 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
SCHEMBL9803053 0.76 HTT (0.52) HTTCSNK2A1PLK1PLK3HDAC1
SCHEMBL23537658 0.72 BUB1 (0.43) CSNK2A1PLK1PLK3HDAC1HDAC6
SCHEMBL29824768 0.72 BUB1 (0.43) CSNK2A1PLK1PLK3HDAC1HDAC6
SCHEMBL9803135 0.70 HTT (0.40) HTTCSNK2A1PLK1PLK3HDAC1
SCHEMBL15698058 0.69 ALDH1A1 (0.43) ALDH1A1KDM4ETSHRPTK2L3MBTL1
SCHEMBL31223986 0.68 RXFP1 (0.38) ALDH1A1KDM4EKMT2A
SCHEMBL9803110 0.67 SMN1; SMN2 (0.46) HTTCSNK2A1PLK1PLK3ALDH1A1
SCHEMBL13377320 0.66 RXFP1 (0.36) TSHRL3MBTL1SMN1; SMN2
SCHEMBL6164696 0.65 HTT (0.61) HTTCSNK2A1PLK1PLK3ALDH1A1
SCHEMBL1146660 0.65 HTR2A (0.51) HDAC1HDAC6BUB1ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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