SCHEMBL5317253

SCHEMBL5317253

NC(=S)N(c1ccccc1)c1ccc(F)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.76
GAA P10253 2/20 0.45
MAPT P10636 2/20 0.45
MEN1 O00255 1/20 0.45
HPGD P15428 1/20 0.45
KMT2A Q03164 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
NPSR1 Q6W5P4 1/20 0.40
KCNN4 O15554 5/20 0.39
NOX1 Q9Y5S8 1/20 0.39
PLA2G1B P04054 1/20 0.38
ATG4B Q9Y4P1 1/20 0.38
NR3C2 P08235 1/20 0.38
PTGIR P43119 1/20 0.37
PTGDR Q13258 1/20 0.37
KCNE1 P15382 1/20 0.37
KCNQ1 P51787 1/20 0.37
S100A4 P26447 1/20 0.36
AGTR2 P50052 1/20 0.35
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL5317193 0.92 ALDH1A1 (0.60) ALDH1A1GAAMAPTMEN1KMT2A
SCHEMBL81706 0.87 ALDH1A1 (1.00) ALDH1A1GAAMAPTMEN1HPGD
SCHEMBL28457286 0.85 ALDH1A1 (0.95) ALDH1A1GAAMAPTMEN1HPGD
Methyl Alcohol SCHEMBL27848650 0.83 ALDH1A1 (0.91) ALDH1A1GAAMAPTMEN1HPGD
SCHEMBL11674313 0.82 ALDH1A1 (0.79) ALDH1A1GAAMAPTMEN1HPGD
SCHEMBL29278840 0.80 ALDH1A1 (0.47) ALDH1A1GAAMAPTMEN1HPGD
SCHEMBL6037471 0.80 ALDH1A1 (0.76) ALDH1A1GAAMAPTMEN1HPGD
SCHEMBL29111932 0.80 ALDH1A1 (0.76) ALDH1A1GAAMAPTMEN1HPGD
SCHEMBL10332767 0.79 ALDH1A1 (0.83) ALDH1A1GAAMAPTMEN1HPGD
SCHEMBL9274133 0.78 ALDH1A1 (0.73) ALDH1A1GAAMAPTMEN1HPGD

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
WO-2007062797-A1 AMINO-SUBSTITUTED AZO-HETEROCYCLIC COMPOUNDS FOR TREATING INFLAMMATORY CONDITIONS 7TM PHARMA A/S (DK) 2007-06-07 WO disclosed
WO-2007062797-A1 AMINO-SUBSTITUTED AZO-HETEROCYCLIC COMPOUNDS FOR TREATING INFLAMMATORY CONDITIONS 7TM PHARMA A/S (DK) 2007-06-07 WO disclosed