SCHEMBL6702569

SCHEMBL6702569

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.49
ALDH1A1 P00352 6/20 0.49
GAA P10253 3/20 0.49
ALOX15 P16050 3/20 0.49
HSD17B10 Q99714 3/20 0.45
ALOX12 P18054 2/20 0.45
AKR1C3 P42330 1/20 0.41
KDM4E B2RXH2 3/20 0.41
HTT P42858 2/20 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
L3MBTL1 Q9Y468 1/20 0.39
KDM1A O60341 1/20 0.39
LMNA P02545 1/20 0.39
HTR3E A5X5Y0 1/20 0.39
HTR3B O95264 1/20 0.39
HTR3A P46098 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
SCHEMBL6705000 0.90 MAPT (0.61) MAPTALDH1A1GAAALOX15HSD17B10
SCHEMBL6703990 0.86 ALDH1A1 (0.51) MAPTALDH1A1GAAALOX15HSD17B10
SCHEMBL6697526 0.85 MAPT (0.52) MAPTALDH1A1GAAALOX15KDM4E
SCHEMBL6701909 0.84 MAPT (0.59) MAPTALDH1A1GAAALOX15HSD17B10
SCHEMBL6704568 0.83 KIF11 (0.44) MAPTALDH1A1GAAALOX15HSD17B10
SCHEMBL6627881 0.82 ALDH1A1 (0.45) MAPTALDH1A1GAAALOX15HSD17B10
SCHEMBL6703684 0.79 ALDH1A1 (0.46) MAPTALDH1A1GAAALOX15HSD17B10
SCHEMBL6704844 0.77 MAPT (0.51) MAPTALDH1A1GAAALOX12MEN1
SCHEMBL6704507 0.77 ALDH1A1 (0.46) MAPTALDH1A1GAAALOX15HSD17B10
SCHEMBL6699680 0.77 ALDH1A1 (0.54) MAPTALDH1A1GAAALOX15HSD17B10

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