SCHEMBL6428041

SCHEMBL6428041

O=C1C(Cl)=C(c2ccc(Cl)cc2)C(=O)N1Cc1ccc2scnc2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.38
NR1H3 Q13133 1/20 0.38
HSD11B1 P28845 1/20 0.35
MAP3K11 Q16584 1/20 0.34
TRPM5 Q9NZQ8 1/20 0.33
FFAR1 O14842 1/20 0.33
P2RX3 P56373 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
DRD2 P14416 1/20 0.33
RIPK2 O43353 1/20 0.33
LCK P06239 1/20 0.33
KDR P35968 1/20 0.33
TGFBR1 P36897 1/20 0.33
ABCB11 O95342 1/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
PIK3CD O00329 1/20 0.32

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
SCHEMBL6428843 0.80 NR1H2 (0.52) NR1H2NR1H3LMNAMAPTMEN1
SCHEMBL6426484 0.76 APAF1 (0.52) NR1H2NR1H3MAPTMEN1KMT2A
SCHEMBL6428883 0.75 NR1H2 (0.48) NR1H2NR1H3LMNAMAPTMEN1
SCHEMBL6427927 0.74 MAPT (0.52) NR1H2NR1H3LMNAMAPTMEN1
SCHEMBL6426845 0.73 MAPT (0.50) NR1H2NR1H3LMNAMAPTRAB9A
SCHEMBL6427000 0.73 NR1H2 (0.60) NR1H2NR1H3LMNAMAPTMEN1
SCHEMBL6429372 0.71 SMN1; SMN2 (0.57) LMNAMAPTABCB11KMT2A
SCHEMBL23297338 0.70 PDE4A (0.45) LMNAMAPTMEN1KMT2A
SCHEMBL29776801 0.70 PDE4A (0.45) LMNAMAPTMEN1KMT2A
SCHEMBL6429547 0.70 CMA1 (0.54) NR1H2NR1H3MAPTMEN1KMT2A

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-2005024755-A2 MEDICAMENTS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS OR DIABETES DECIPHERA PHARMACEUTICALS, LLC. (US) 2005-03-17 WO disclosed