SCHEMBL20179445

SCHEMBL20179445

N/C=C(\NN)c1ccc(/N=C(\S)c2c(O)[nH]c(=O)[nH]c2=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 7/20 0.42
KMT2A Q03164 5/20 0.38
MEN1 O00255 4/20 0.38
ALDH1A1 P00352 3/20 0.38
TP53 P04637 1/20 0.38
SLC22A12 Q96S37 4/20 0.36
GAA P10253 3/20 0.34
POLB P06746 2/20 0.34
MAPT P10636 2/20 0.34
HTT P42858 2/20 0.34
RAB9A P51151 1/20 0.34
BLM P54132 1/20 0.34
LMNA P02545 2/20 0.33
RPS6KA3 P51812 1/20 0.33
KDM4E B2RXH2 1/20 0.33
USP2 O75604 1/20 0.33
HPGD P15428 1/20 0.33
CASP1 P29466 1/20 0.33
BRCA1 P38398 1/20 0.33
CASP7 P55210 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
SCHEMBL20179443 0.75 XDH (0.48) XDHKMT2AMEN1ALDH1A1SLC22A12
SCHEMBL20179663 0.71 XDH (0.42) XDHKMT2AMEN1ALDH1A1TP53
SCHEMBL20179665 0.64 XDH (0.34) XDHGAAPOLBMAPTTDP1
SCHEMBL20179671 0.59 XDH (0.31) XDH
SCHEMBL20997681 0.58 MASP2 (0.39) KMT2AMEN1ALDH1A1POLBMAPT
SCHEMBL20997690 0.57 LMNA (0.52) KMT2AMEN1ALDH1A1POLBMAPT
SCHEMBL20998018 0.57 OGG1 (0.52) ALDH1A1GAAPOLBMAPTRAB9A
SCHEMBL20997849 0.57 MAOA (0.42) KMT2AMEN1RAB9A
SCHEMBL20997871 0.57 ALDH1A1 (0.40) KMT2AMEN1ALDH1A1GAAMAPT
SCHEMBL20179476 0.57 XDH (0.75) XDHKMT2AMEN1ALDH1A1SLC22A12

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