SCHEMBL7650104

SCHEMBL7650104

CC(C)(C(=O)O)n1c(=O)[nH]c2ccc(F)cc2c1=O

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FEN1 P39748 2/20 0.58
MPO P05164 10/20 0.51
XDH P47989 4/20 0.51
DAO P14920 1/20 0.43
KEAP1 Q14145 1/20 0.43
NFE2L2 Q16236 1/20 0.43
DDR1 Q08345 2/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
GABRA1 P14867 1/20 0.41
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRA5 P31644 1/20 0.41
GABRA3 P34903 1/20 0.41
GABRA2 P47869 1/20 0.41
GABRA4 P48169 1/20 0.41
GABRA6 Q16445 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
SCHEMBL22745955 0.85 FEN1 (0.60) FEN1MPOXDHDAOKEAP1
SCHEMBL8133826 0.84 KDM4E (0.45) FEN1DAOMEN1KMT2AGABRA1
SCHEMBL7655193 0.83 CA12 (0.58) MPOXDHDAOMEN1KMT2A
SCHEMBL16265009 0.83 RXFP1 (0.45) DDR1MEN1KMT2A
SCHEMBL7653637 0.83 MPO (0.43) FEN1MPOXDHDAO
SCHEMBL7651932 0.82 FEN1 (0.51) FEN1MPOXDHKEAP1NFE2L2
SCHEMBL7651882 0.80 ADORA3 (0.54) FEN1MPOKMT2A
SCHEMBL7650012 0.79 MPO (0.44) FEN1MPOXDHKMT2A
SCHEMBL7651163 0.78 LMNA (0.44) FEN1
SCHEMBL7652823 0.75 CA9 (0.58) MPOXDHMEN1KMT2A

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
US-6407116-B1 2,4-DIOXO-1,2,3,4-TETRAHYDROQUINAZOLINE DERIVATIVES; ANTIALLERGENS, ANTIASTHMATICS, ANTIHISTAMINES, AND ANTIINFLAMMATORY AGENTS TAKEDA CHEMICAL INDUSTRIES, INC. (JP) 2002-06-18 US disclosed
EP-1026160-A1 NITROGENOUS FUSED-RING COMPOUNDS, PROCESS FOR THE PREPARATION OF THE SAME, AND DRUGS Takeda Chemical Industries, Ltd. (JP) 2000-08-09 EP disclosed