SCHEMBL6472996

SCHEMBL6472996

O=c1[nH]ccc(O)c1Cc1cccc(F)c1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DAO P14920 6/20 0.52
HCAR2 Q8TDS4 1/20 0.44
PDE3B Q13370 1/20 0.42
PDE3A Q14432 1/20 0.42
IDH1 O75874 1/20 0.41
KDM4E B2RXH2 2/20 0.39
HSD17B10 Q99714 2/20 0.39
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
PARP1 P09874 1/20 0.38
CYP2C9 P11712 1/20 0.38
HPGD P15428 1/20 0.38
RAB9A P51151 1/20 0.38
BLM P54132 1/20 0.38
PARP15 Q460N3 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 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
SCHEMBL5199231 0.81 ALDH1A1 (0.47) DAOKDM4EHSD17B10ALDH1A1LMNA
SCHEMBL10487074 0.74 DAO (0.51) DAOHCAR2PDE3BPDE3AIDH1
SCHEMBL856053 0.73 POLB (0.56) DAOHCAR2PDE3BPDE3AIDH1
SCHEMBL5184666 0.73 PDE10A (0.43) DAOPDE3BPDE3A
SCHEMBL441514 0.73 SLC2A1 (0.43) DAOPDE3BPDE3AIDH1KDM4E
SCHEMBL14719553 0.70 HCAR2 (0.56) DAOHCAR2PDE3BPDE3AIDH1
SCHEMBL30107633 0.70 HCAR2 (0.56) DAOHCAR2PDE3BPDE3AIDH1
SCHEMBL3300303 0.69 TAAR1 (0.60) DAOHCAR2IDH1ALDH1A1CYP3A4
SCHEMBL14485841 0.69 DAO (1.00) DAO
SCHEMBL6647299 0.68 DAO (0.52) DAOHCAR2PDE3BPDE3AIDH1

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-2005018557-A2 SUBSTITUTED PYRIDINONES PHARMACIA CORPORATION (US) 2005-03-03 WO disclosed