SCHEMBL6705448

SCHEMBL6705448

CSc1ccc(N2C(=O)C(C)N(c3ccc(N4CCOCC4)cc3)C2=S)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.42
MAPT P10636 11/20 0.42
GAA P10253 9/20 0.41
ALOX12 P18054 6/20 0.41
KIF11 P52732 2/20 0.40
PARP1 P09874 1/20 0.39
EP300 Q09472 1/20 0.36
KAT2B Q92831 1/20 0.36
ALOX15 P16050 5/20 0.36
HSD17B10 Q99714 4/20 0.36
MAPK1 P28482 3/20 0.36
KDM4E B2RXH2 3/20 0.36
TDP1 Q9NUW8 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PDE3B Q13370 2/20 0.36

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
SCHEMBL6704097 0.86 KIF11 (0.53) ALDH1A1MAPTGAAALOX12KIF11
SCHEMBL6702824 0.86 KIF11 (0.53) ALDH1A1MAPTGAAALOX12KIF11
SCHEMBL6703729 0.85 PARP1 (0.42) ALDH1A1MAPTGAAALOX12KIF11
SCHEMBL6699022 0.85 KIF11 (0.54) ALDH1A1MAPTGAAALOX12KIF11
SCHEMBL6702073 0.85 RAD51 (0.49) ALDH1A1MAPTGAAALOX12KIF11
SCHEMBL6703556 0.85 MAPT (0.46) ALDH1A1MAPTGAAALOX12KIF11
SCHEMBL6703990 0.83 ALDH1A1 (0.51) ALDH1A1MAPTGAAALOX12ALOX15
SCHEMBL6704313 0.81 AKR1C3 (0.50) ALDH1A1MAPTGAAMAPK1KDM4E
SCHEMBL6704507 0.81 ALDH1A1 (0.46) ALDH1A1MAPTGAAALOX12KIF11
SCHEMBL6699680 0.81 ALDH1A1 (0.54) ALDH1A1MAPTGAAALOX12ALOX15

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