SCHEMBL3422204

SCHEMBL3422204

Cc1cccc2[nH]c(=O)c(O)c(F)c12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 6/20 0.49
DDO Q99489 4/20 0.49
PARP1 P09874 2/20 0.47
GRIN2D O15399 2/20 0.44
GRIN3B O60391 2/20 0.44
GRIN1 Q05586 2/20 0.44
GRIN2A Q12879 2/20 0.44
GRIN2B Q13224 2/20 0.44
GRIN2C Q14957 2/20 0.44
GRIN3A Q8TCU5 2/20 0.44
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPT P10636 1/20 0.43
IDE P14735 1/20 0.43
MPI P34949 1/20 0.43
CACNA1B Q00975 1/20 0.43
APBA1 Q02410 1/20 0.43
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
CHEK1 O14757 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
SCHEMBL3360284 0.81 GRIN2D (0.60) DAODDOGRIN2DGRIN3BGRIN1
SCHEMBL3422531 0.81 DAO (0.51) DAODDOGRIN2DGRIN3BGRIN1
SCHEMBL3395242 0.76 FASN (0.42) DAODDOGRIN2DGRIN3BGRIN1
SCHEMBL2483507 0.75 KDM4E (0.50) DAODDOPARP1KDM4EALDH1A1
SCHEMBL3363824 0.74 DAO (0.46) DAODDOGRIN2DGRIN3BGRIN1
SCHEMBL8580170 0.73 DAO (0.66) DAODDOPARP1BRD4
SCHEMBL8897535 0.73 GRIN2D (0.72) DAODDOPARP1GRIN2DGRIN3B
SCHEMBL19639028 0.73 DAO (0.47) DAODDOPARP1GRIN2DGRIN3B
SCHEMBL3359580 0.72 ADRA2A (0.49) DAODDOGRIN2DGRIN3BGRIN1
SCHEMBL2482875 0.72 KDM4E (0.52) DAODDOKDM4EALDH1A1CYP2C9

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