SCHEMBL6705000

SCHEMBL6705000

COc1ccc(N2C(=O)C(C)N(c3ccc(N4CCOCC4)cc3)C2=S)c(OC)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.61
ALDH1A1 P00352 6/20 0.61
GAA P10253 4/20 0.61
ALOX15 P16050 3/20 0.61
KDM4E B2RXH2 3/20 0.48
HTT P42858 1/20 0.48
HSD17B10 Q99714 3/20 0.45
ALOX12 P18054 2/20 0.45
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
LMNA P02545 1/20 0.43
AKR1C3 P42330 1/20 0.41
PRKDC P78527 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
SLC6A9 P48067 1/20 0.39
SLC6A5 Q9Y345 1/20 0.39
POLB P06746 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
SCHEMBL6702569 0.90 MAPT (0.49) MAPTALDH1A1GAAALOX15KDM4E
SCHEMBL6703990 0.86 ALDH1A1 (0.51) MAPTALDH1A1GAAALOX15KDM4E
SCHEMBL6697526 0.85 MAPT (0.52) MAPTALDH1A1GAAALOX15KDM4E
SCHEMBL6701909 0.84 MAPT (0.59) MAPTALDH1A1GAAALOX15KDM4E
SCHEMBL6703684 0.83 ALDH1A1 (0.46) MAPTALDH1A1GAAALOX15KDM4E
SCHEMBL6627881 0.78 ALDH1A1 (0.45) MAPTALDH1A1GAAALOX15KDM4E
SCHEMBL6704507 0.77 ALDH1A1 (0.46) MAPTALDH1A1GAAALOX15KDM4E
SCHEMBL6699680 0.77 ALDH1A1 (0.54) MAPTALDH1A1GAAALOX15HTT
SCHEMBL6704568 0.76 KIF11 (0.44) MAPTALDH1A1GAAALOX15KDM4E
SCHEMBL6704097 0.76 KIF11 (0.53) MAPTALDH1A1GAAALOX15KDM4E

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