SCHEMBL20179663

SCHEMBL20179663

N/C=C(\NN)c1ccc(C(=O)Nc2c(O)[nH]c(=O)[nH]c2=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 11/20 0.42
SLC22A12 Q96S37 8/20 0.39
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
ALDH1A1 P00352 3/20 0.38
POLB P06746 3/20 0.38
MAPT P10636 3/20 0.38
TDP1 Q9NUW8 2/20 0.38
HTT P42858 2/20 0.38
KDM4E B2RXH2 1/20 0.38
USP2 O75604 1/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
CASP1 P29466 1/20 0.38
BRCA1 P38398 1/20 0.38
CASP7 P55210 1/20 0.38
HSD17B10 Q99714 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TP53 P04637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL17010264 0.81 XDH (0.55) XDHSLC22A12MEN1KMT2AALDH1A1
SCHEMBL20179443 0.74 XDH (0.48) XDHSLC22A12MEN1KMT2AALDH1A1
SCHEMBL22381442 0.72 XDH (0.44) XDHSLC22A12MEN1KMT2AALDH1A1
SCHEMBL20179445 0.71 XDH (0.42) XDHSLC22A12MEN1KMT2AALDH1A1
SCHEMBL17010238 0.66 XDH (0.44) XDHSLC22A12MEN1KMT2AALDH1A1
SCHEMBL27741350 0.65 KMT2A (0.47) SLC22A12MEN1KMT2AMAPTTDP1
SCHEMBL20179455 0.62 XDH (0.60) XDHSLC22A12MEN1KMT2AALDH1A1
SCHEMBL20179671 0.62 XDH (0.31) XDH
SCHEMBL20997681 0.61 MASP2 (0.39) MEN1KMT2AALDH1A1POLBMAPT
SCHEMBL20997879 0.61 CES2 (0.47) ALDH1A1

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