SCHEMBL6704568

SCHEMBL6704568

Cc1ccccc1N1C(=O)C(C)N(c2ccc(N3CCOCC3)cc2)C1=S

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.44
AKR1C3 P42330 1/20 0.43
ALDH1A1 P00352 11/20 0.42
MAPT P10636 9/20 0.42
GAA P10253 5/20 0.42
ALOX12 P18054 4/20 0.42
ALOX15 P16050 4/20 0.42
HSD17B10 Q99714 4/20 0.42
KDM4E B2RXH2 3/20 0.42
TDP1 Q9NUW8 3/20 0.42
MAPK1 P28482 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
L3MBTL1 Q9Y468 5/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
USP2 O75604 2/20 0.41
POLB P06746 1/20 0.41
IDE P14735 1/20 0.41
PARP1 P09874 1/20 0.40
ATM Q13315 1/20 0.40

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
SCHEMBL6701945 0.87 ALDH1A1 (0.56) KIF11ALDH1A1MAPTGAAALOX12
SCHEMBL6702547 0.87 ALDH1A1 (0.49) KIF11AKR1C3ALDH1A1MAPTGAA
SCHEMBL6704097 0.85 KIF11 (0.53) KIF11AKR1C3ALDH1A1MAPTGAA
SCHEMBL6702824 0.85 KIF11 (0.53) KIF11AKR1C3ALDH1A1MAPTGAA
SCHEMBL6702569 0.83 MAPT (0.49) AKR1C3ALDH1A1MAPTGAAALOX12
SCHEMBL6703155 0.81 ALDH1A1 (0.52) KIF11ALDH1A1MAPTGAAALOX12
SCHEMBL6704844 0.80 MAPT (0.51) KIF11ALDH1A1MAPTGAAALOX12
SCHEMBL6699022 0.80 KIF11 (0.54) KIF11ALDH1A1MAPTGAAALOX12
SCHEMBL6703556 0.80 MAPT (0.46) KIF11AKR1C3ALDH1A1MAPTGAA
SCHEMBL6703729 0.80 PARP1 (0.42) KIF11ALDH1A1MAPTGAAALOX12

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