SCHEMBL8288646

SCHEMBL8288646

CCc1cc(C(=O)c2ccc(Br)cc2)c(N)s1

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.71
GAA P10253 3/20 0.71
HTT P42858 2/20 0.71
LMNA P02545 3/20 0.54
ALOX15 P16050 1/20 0.54
HSD17B10 Q99714 1/20 0.54
MAPK1 P28482 2/20 0.52
ALDH1A1 P00352 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
NPC1 O15118 1/20 0.49
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ADORA1 P30542 2/20 0.42
POLB P06746 1/20 0.42
ABCB11 O95342 1/20 0.42
PTGS1 P23219 1/20 0.42
PTGS2 P35354 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
AKR1C3 P42330 1/20 0.41

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
SCHEMBL8671592 0.87 MAPT (0.72) MAPTGAAHTTLMNAALOX15
SCHEMBL8457805 0.85 MAPT (0.71) MAPTGAAHTTLMNAALOX15
SCHEMBL8289684 0.85 MAPT (0.70) MAPTGAAHTTLMNAALOX15
SCHEMBL4776005 0.83 MAPT (1.00) MAPTGAAHTTLMNAALOX15
SCHEMBL3576636 0.79 MAPT (0.73) MAPTGAAHTTLMNAALOX15
SCHEMBL2778266 0.74 GAA (0.65) MAPTGAAHTTLMNAALOX15
SCHEMBL5025179 0.74 MAPK1 (0.65) MAPTGAAHTTLMNAALOX15
SCHEMBL5467672 0.73 ADORA1 (0.57) MAPTGAAHTTLMNAALOX15
SCHEMBL9039352 0.72 LMNA (0.67) MAPTGAAHTTLMNAALOX15
SCHEMBL3584706 0.71 NPSR1 (0.57) MAPTGAAHTTLMNAHSD17B10

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-2005033102-A2 THIOPHENE-BASED COMPOUNDS EXHIBITING ATP-UTILIZING ENZYME INHIBITORY ACTIVITY, AND COMPOSITIONS, AND USES THEREOF AMPHORA DISCOVERY CORPORATION (US) 2005-04-14 WO disclosed