SCHEMBL7653637

SCHEMBL7653637

CC(C)(C(=O)O)n1c(=O)[nH]c2cc(F)c(F)cc2c1=O

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MPO P05164 4/20 0.43
XDH P47989 2/20 0.43
DAO P14920 2/20 0.41
PARG Q86W56 1/20 0.38
FEN1 P39748 4/20 0.37
CA12 O43570 4/20 0.36
CA9 Q16790 4/20 0.36
IMPDH2 P12268 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ERCC1 P07992 2/20 0.33
ERCC4 Q92889 2/20 0.33
DNASE1 P24855 1/20 0.33
PGR P06401 1/20 0.33

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
SCHEMBL7650104 0.83 FEN1 (0.58) MPOXDHDAOFEN1
SCHEMBL7651849 0.81 MPO (0.38) MPOXDHDAOPARGKDM4E
SCHEMBL7651163 0.80 LMNA (0.44) FEN1CA12CA9KDM4EALDH1A1
SCHEMBL8133826 0.78 KDM4E (0.45) DAOFEN1KDM4EALDH1A1POLB
SCHEMBL7652823 0.77 CA9 (0.58) MPOXDHCA12CA9KDM4E
SCHEMBL7655193 0.77 CA12 (0.58) MPOXDHDAOCA12CA9
SCHEMBL16265009 0.77 RXFP1 (0.45) ALDH1A1POLBHSD17B10
SCHEMBL7650006 0.74 FEN1 (0.58) DAOFEN1
SCHEMBL17191921 0.69 SRC (0.44) FEN1CA12CA9KDM4EALDH1A1
SCHEMBL6668697 0.69 CA9 (0.59) MPOXDHDAOPARGFEN1

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