SCHEMBL20179443

SCHEMBL20179443

N=C(Nc1ccc(/C(=C/N)NN)cc1)c1c(O)[nH]c(=O)[nH]c1=O

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
XDH P47989 17/20 0.48
SLC22A12 Q96S37 9/20 0.46
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
USP2 O75604 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
CASP1 P29466 1/20 0.43
BRCA1 P38398 1/20 0.43
HTT P42858 1/20 0.43
CASP7 P55210 1/20 0.43
KMT2A Q03164 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL20179445 0.75 XDH (0.42) XDHSLC22A12KDM4EMEN1USP2
SCHEMBL20179663 0.74 XDH (0.42) XDHSLC22A12KDM4EMEN1USP2
SCHEMBL20179456 0.72 XDH (0.55) XDHSLC22A12
SCHEMBL22381453 0.71 XDH (0.54) XDHSLC22A12
SCHEMBL17954726 0.70 XDH (0.65) XDHSLC22A12KDM4EMEN1USP2
SCHEMBL22364231 0.68 XDH (0.54) XDHSLC22A12
SCHEMBL20179476 0.68 XDH (0.75) XDHSLC22A12KDM4EMEN1USP2
SCHEMBL20179455 0.67 XDH (0.60) XDHSLC22A12KDM4EMEN1USP2
SCHEMBL20179665 0.67 XDH (0.34) XDHPOLBMAPTTDP1
SCHEMBL17010244 0.66 XDH (0.77) XDHSLC22A12KDM4EMEN1USP2

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-2018005192-A9 COMPOUNDS AND THEIR USE FOR REDUCING URIC ACID LEVELS ACQUIST LLC (US) 2018-05-24 WO disclosed