SCHEMBL9803012

SCHEMBL9803012

COCCn1c2c(ccc1=O)C(=O)CCC2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.40
CSNK2A1 P68400 3/20 0.40
PLK1 P53350 1/20 0.40
PLK3 Q9H4B4 1/20 0.40
BRD4 O60885 1/20 0.39
ALDH1A1 P00352 3/20 0.39
CNR2 P34972 2/20 0.38
CNR1 P21554 1/20 0.38
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
LMNA P02545 2/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CDK4 P11802 1/20 0.35
CCND1 P24385 1/20 0.35
CCND2 P30279 1/20 0.35
CCND3 P30281 1/20 0.35
CSNK2A2 P19784 2/20 0.35
CSNK2B P67870 2/20 0.35

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
SCHEMBL9803346 0.92 ALDH1A1 (0.42) HPGDCSNK2A1PLK1PLK3BRD4
SCHEMBL7445206 0.83 BRD4 (0.45) HPGDCSNK2A1PLK1PLK3BRD4
SCHEMBL14856840 0.81 CNR2 (0.49) ALDH1A1CNR2CNR1MEN1KMT2A
SCHEMBL9803168 0.81 BRD4 (0.43) HPGDCSNK2A1PLK1PLK3BRD4
SCHEMBL9802743 0.80 HPGD (0.46) HPGDCSNK2A1PLK1PLK3BRD4
SCHEMBL9802730 0.80 BRD4 (0.47) HPGDCSNK2A1PLK1PLK3BRD4
SCHEMBL7430749 0.78 NPC1 (0.44) HPGDCSNK2A1PLK1PLK3BRD4
SCHEMBL9802719 0.77 HSD17B10 (0.43) HPGDBRD4ALDH1A1MEN1KMT2A
SCHEMBL9803348 0.76 BRD4 (0.41) HPGDCSNK2A1PLK1PLK3BRD4
SCHEMBL7439352 0.75 CSNK2A2 (0.56) HPGDCSNK2A1BRD4LMNACSNK2A2

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