SCHEMBL6701945

SCHEMBL6701945

CC1C(=O)N(c2ccccc2F)C(=S)N1c1ccc(N2CCOCC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.56
MAPT P10636 6/20 0.56
GAA P10253 4/20 0.56
ALOX12 P18054 4/20 0.56
HSD17B10 Q99714 4/20 0.56
L3MBTL1 Q9Y468 3/20 0.56
ALOX15 P16050 3/20 0.56
KIF11 P52732 2/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
HTT P42858 1/20 0.43
KDM4E B2RXH2 1/20 0.41
MAPK1 P28482 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
TSHR P16473 1/20 0.40
USP2 O75604 1/20 0.40
ATM Q13315 1/20 0.40
PARP1 P09874 1/20 0.40
HCRTR1 O43613 1/20 0.39

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
SCHEMBL6704568 0.87 KIF11 (0.44) ALDH1A1MAPTGAAALOX12HSD17B10
SCHEMBL6702547 0.86 ALDH1A1 (0.49) ALDH1A1MAPTGAAALOX12HSD17B10
SCHEMBL6702824 0.84 KIF11 (0.53) ALDH1A1MAPTGAAALOX12ALOX15
SCHEMBL6704097 0.84 KIF11 (0.53) ALDH1A1MAPTGAAALOX12ALOX15
SCHEMBL6703556 0.83 MAPT (0.46) ALDH1A1MAPTGAAALOX12HSD17B10
SCHEMBL6703161 0.83 RAD51 (0.50) ALDH1A1MAPTGAAALOX12HSD17B10
SCHEMBL6705427 0.81 MAPT (0.51) ALDH1A1MAPTGAAALOX12HSD17B10
SCHEMBL6699022 0.79 KIF11 (0.54) ALDH1A1MAPTGAAALOX12HSD17B10
SCHEMBL6702073 0.79 RAD51 (0.49) ALDH1A1MAPTGAAALOX12KIF11
SCHEMBL6703729 0.79 PARP1 (0.42) ALDH1A1MAPTGAAALOX12HSD17B10

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
US-20040116417-A1 Thiohydantoins and use thereof for treating diabetes LABORATOIRES FOURNIER SA (FR) 2004-06-17 US disclosed