SCHEMBL9218908

SCHEMBL9218908

CCCn1c(=O)c2c(NC)n[nH]c2c2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.46
APOBEC3G Q9HC16 1/20 0.46
KDM4E B2RXH2 6/20 0.44
ALDH1A1 P00352 4/20 0.44
LMNA P02545 3/20 0.44
HPGD P15428 2/20 0.44
POLB P06746 2/20 0.44
HSD17B10 Q99714 1/20 0.44
GAA P10253 2/20 0.44
PGR P06401 2/20 0.43
RORA P35398 1/20 0.43
RORC P51449 1/20 0.43
RORB Q92753 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
NPSR1 Q6W5P4 2/20 0.42
RXFP1 Q9HBX9 1/20 0.42
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
HTT P42858 2/20 0.41
NPC1 O15118 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
SCHEMBL9217657 0.86 UTS2R (0.46) PLK1APOBEC3GKDM4EALDH1A1LMNA
SCHEMBL9213798 0.73 PGR (0.49) KDM4EALDH1A1LMNAHPGDPOLB
SCHEMBL21067780 0.73 CYP1A2 (0.48) PLK1KDM4EALDH1A1LMNAHPGD
SCHEMBL6518602 0.72 AURKA (0.41) PLK1APOBEC3GKDM4EALDH1A1LMNA
SCHEMBL6514910 0.72 CHEK1 (0.49) PLK1APOBEC3GKDM4EALDH1A1LMNA
SCHEMBL10558211 0.72 TSHR (0.43) HSD17B10ADORA3MAPTTSHRTP53
SCHEMBL6508661 0.71 TOP2A (0.53) PLK1APOBEC3GKDM4ERXFP1HTT
SCHEMBL6523698 0.71 TSHR (0.47) KDM4EALDH1A1LMNAHPGDPOLB
SCHEMBL6515436 0.71 CHEK1 (0.51) PLK1APOBEC3GKDM4EALDH1A1LMNA
SCHEMBL10556775 0.71 ADORA3 (0.46) LMNAADORA3SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4356486-A None JP disclosed
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
JP-H04356486-A PYRAZOLOQUINOLINE DERIVATIVE KYOWA HAKKO KOGYO CO LTD 1992-12-10 JP disclosed
EP-0476544-A1 Pyrazoloquinoline derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 1992-03-25 EP disclosed