SCHEMBL3420696

SCHEMBL3420696

CCc1cccc2c(F)c(O)c(=O)[nH]c12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 5/20 0.51
ALDH1A1 P00352 4/20 0.50
LMNA P02545 2/20 0.50
DDO Q99489 3/20 0.44
GABRA1 P14867 1/20 0.44
GABRB2 P47870 1/20 0.44
PGR P06401 2/20 0.42
PIM1 P11309 1/20 0.40
PIM3 Q86V86 1/20 0.40
HTT P42858 1/20 0.39
CCNB2 O95067 1/20 0.39
CDK1 P06493 1/20 0.39
CCNB1 P14635 1/20 0.39
GSK3B P49841 1/20 0.39
CDK5 Q00535 1/20 0.39
CDK5R1 Q15078 1/20 0.39
CCNB3 Q8WWL7 1/20 0.39
NPEPPS P55786 1/20 0.38
KDM4E B2RXH2 2/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL3420415 0.78 PGR (0.39) DAOALDH1A1LMNADDOPGR
SCHEMBL9390027 0.75 DAO (0.68) DAOALDH1A1LMNADDOGABRA1
SCHEMBL3422531 0.75 DAO (0.51) DAOALDH1A1DDOGABRA1GABRB2
SCHEMBL3358803 0.74 FASN (0.40) DAOALDH1A1DDOKDM4EMAPT
SCHEMBL3420842 0.72 DAO (0.38) DAODDOGABRA1GABRB2GRIN2D
SCHEMBL2914712 0.71 ALDH1A1 (0.49) DAOALDH1A1LMNADDOGABRA1
SCHEMBL3432547 0.71 GRIN2D (0.41) DAOALDH1A1DDOKDM4EMAPT
SCHEMBL3425826 0.71 DAO (0.37) DAOGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL17942038 0.69 KDM4E (0.69) DAOALDH1A1LMNADDOKDM4E
SCHEMBL15981323 0.69 ALDH1A1 (0.48) ALDH1A1LMNAHTTKDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010058314-A1 HYDROXYQUINOLIN-2(1H)-ONES AND DERIVATIVES THEREOF PFIZER INC. (US) 2010-05-27 WO disclosed