SCHEMBL13728720

SCHEMBL13728720

CCCCc1nc2[nH]c(=S)[nH]c(=O)c2[nH]1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 2/20 0.43
PARP1 P09874 1/20 0.42
FFAR3 O14843 1/20 0.42
FFAR2 O15552 1/20 0.42
HCAR2 Q8TDS4 1/20 0.42
ALDH1A1 P00352 3/20 0.41
MAPK1 P28482 1/20 0.41
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
PI4KA P42356 1/20 0.38
PI4K2B Q8TCG2 1/20 0.38
PI4K2A Q9BTU6 1/20 0.38
PI4KB Q9UBF8 1/20 0.38
GPR84 Q9NQS5 5/20 0.38
POLB P06746 1/20 0.37
GSK3B P49841 1/20 0.37
HIF1A Q16665 1/20 0.36
KMT2A Q03164 1/20 0.36
PKM P14618 1/20 0.36
HPGD P15428 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
SCHEMBL6233162 0.84 XDH (0.51) XDHPARP1FFAR3HCAR2ALDH1A1
SCHEMBL3118423 0.79 XDH (0.54) XDHPARP1HCAR2PI4KAPI4K2B
SCHEMBL11661802 0.78 XDH (0.56) XDHHCAR2PI4KAPI4K2BPI4K2A
SCHEMBL9845191 0.78 XDH (0.40) XDHPARP1ALDH1A1MAPK1CYP3A4
SCHEMBL1150739 0.77 XDH (0.47) XDHHCAR2ALDH1A1MAPK1CYP3A4
SCHEMBL7329904 0.75 XDH (0.43) XDHALDH1A1POLBKMT2APKM
SCHEMBL4090386 0.73 XDH (0.39) XDHALDH1A1POLBKMT2APKM
SCHEMBL6272728 0.72 PNP (0.58) ALDH1A1PI4KAPI4K2BPI4K2API4KB
SCHEMBL9845194 0.71 POLB (0.42) XDHALDH1A1CYP3A4CYP2C19GPR84
SCHEMBL1892013 0.71 POLB (0.49) ALDH1A1MAPK1CYP3A4CYP2C19POLB

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-2012151576-A1 METHODS OF TREATING COMPLICATIONS AND DISORDERS ASSOCIATED WITH G-CSF ADMINISTRATION SACKSTEIN ROBERT (US) 2012-11-08 WO disclosed