SCHEMBL14723525

SCHEMBL14723525

O=c1[nH]ncc(CCc2ccc(F)cc2F)c1O

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DAO P14920 2/20 0.49
NR3C2 P08235 1/20 0.41
HTR2A P28223 2/20 0.38
HTR2C P28335 2/20 0.38
TRPC5 Q9UL62 1/20 0.37
GSK3B P49841 3/20 0.37
AKT1 P31749 1/20 0.36
MAOB P27338 1/20 0.35
BACE1 P56817 2/20 0.35
KCNH2 Q12809 1/20 0.35
P2RX7 Q99572 1/20 0.35

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
SCHEMBL14722542 0.82 DAO (0.49) DAO
SCHEMBL14722466 0.79 DAO (0.46) DAO
SCHEMBL14722008 0.78 DAO (0.42) DAO
SCHEMBL14722688 0.76 DAO (0.48) DAOP2RX7
SCHEMBL14718360 0.73 DAO (0.48) DAONR3C2HTR2AHTR2CGSK3B
SCHEMBL30159648 0.73 DAO (0.48) DAONR3C2HTR2AHTR2CGSK3B
SCHEMBL7700904 0.72 IDO1 (0.58) DAONR3C2HTR2AHTR2CMAOB
SCHEMBL6371731 0.68 MAPK14 (0.58)
SCHEMBL22941169 0.67 MPO (0.48) DAOP2RX7
SCHEMBL15577532 0.66 PIK3CA (0.55) GSK3B

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
EP-2748149-A1 PYRIDAZINONE COMPOUNDS AND THEIR USE AS DAAO INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2014-07-02 EP disclosed
WO-2013027000-A1 PYRIDAZINONE COMPOUNDS AND THEIR USE AS DAAO INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-02-28 WO disclosed