SCHEMBL9213798

SCHEMBL9213798

CCCCn1nc(NC)c2c(=O)n(CCC)c3ccccc3c21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 3/20 0.49
RORA P35398 3/20 0.49
RORC P51449 3/20 0.49
RORB Q92753 3/20 0.49
ALDH1A1 P00352 5/20 0.43
POLB P06746 3/20 0.43
PDE4A P27815 2/20 0.43
PDE4B Q07343 2/20 0.43
PDE4C Q08493 2/20 0.43
PDE4D Q08499 2/20 0.43
PDE3B Q13370 2/20 0.43
PDE3A Q14432 2/20 0.43
KDM4E B2RXH2 4/20 0.43
HPGD P15428 3/20 0.43
ADORA3 P0DMS8 1/20 0.43
LMNA P02545 2/20 0.43
CNR2 P34972 2/20 0.42
HSD17B10 Q99714 1/20 0.42
GAA P10253 1/20 0.42
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL9209339 0.79 KDM4E (0.44) ALDH1A1POLBKDM4EHPGDADORA3
SCHEMBL9218908 0.73 PLK1 (0.46) PGRRORARORCRORBALDH1A1
SCHEMBL9216799 0.72 KDM4E (0.42) PGRRORARORCRORBALDH1A1
SCHEMBL9217137 0.68 ADORA3 (0.43) PGRRORARORCRORBALDH1A1
SCHEMBL8755337 0.68 KDM4E (0.62) PGRRORARORCRORBALDH1A1
SCHEMBL9217657 0.67 UTS2R (0.46) PGRRORARORCRORBALDH1A1
SCHEMBL8755136 0.67 KDM4E (0.66) ALDH1A1POLBKDM4EHPGDLMNA
SCHEMBL14141960 0.67 RORA (1.00) PGRRORARORCRORBALDH1A1
SCHEMBL9210569 0.67 PGR (0.57) PGRRORARORCRORBALDH1A1
SCHEMBL14141640 0.66 PGR (0.68) PGRRORARORCRORBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0476544-B1 Pyrazoloquinoline derivatives KYOWA HAKKO KOGYO KK (JP) 1995-05-10 EP disclosed
US-5192768-A Antiinflammatory, hepatic insufficiency KYOWA HAKKO KOGYO CO., LTD. (JP) 1993-03-09 US disclosed
EP-0476544-A1 Pyrazoloquinoline derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 1992-03-25 EP disclosed