SCHEMBL9217657

SCHEMBL9217657

CCCCNc1n[nH]c2c1c(=O)n(CCC)c1ccccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 3/20 0.46
PGR P06401 3/20 0.45
RORA P35398 2/20 0.45
RORC P51449 2/20 0.45
RORB Q92753 2/20 0.45
PLK1 P53350 3/20 0.42
APOBEC3G Q9HC16 3/20 0.42
KDM4E B2RXH2 5/20 0.41
GAA P10253 3/20 0.41
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 4/20 0.40
POLB P06746 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
CNR2 P34972 1/20 0.40
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL9218908 0.86 PLK1 (0.46) PGRRORARORCRORBPLK1
SCHEMBL9216799 0.73 KDM4E (0.42) UTS2RPGRRORARORCRORB
SCHEMBL6523698 0.70 TSHR (0.47) PGRRORARORCRORBKDM4E
SCHEMBL6515436 0.70 CHEK1 (0.51) PGRRORARORCRORBPLK1
SCHEMBL21067780 0.70 CYP1A2 (0.48) PGRPLK1KDM4EGAANPC1
SCHEMBL6514910 0.69 CHEK1 (0.49) PGRRORARORCRORBPLK1
SCHEMBL6518602 0.69 AURKA (0.41) PGRRORARORCRORBPLK1
SCHEMBL6518571 0.69 HDAC3 (0.41) PGRRORARORCRORBKDM4E
SCHEMBL6518514 0.68 MEN1 (0.43) PLK1KDM4ELMNAHPGDHTT
SCHEMBL6521770 0.68 HDAC3 (0.40) PLK1KDM4ENPC1ALDH1A1POLB

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