SCHEMBL7351999

SCHEMBL7351999

CC1CC(=O)c2c(SCc3nnnn3C)ccc(-c3nccs3)c2C1

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 10/20 0.68
GABRB3 P28472 10/20 0.68
GABRA5 P31644 10/20 0.68
GABRA3 P34903 10/20 0.68
GABRA2 P47869 10/20 0.68
GABRA1 P14867 9/20 0.68
TP53 P04637 1/20 0.32
GAA P10253 1/20 0.32
ALOX15 P16050 1/20 0.32
CASP1 P29466 1/20 0.32
RAB9A P51151 1/20 0.32
MAPK10 P53779 1/20 0.32
CASP7 P55210 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL7351376 0.85 GABRG2 (0.71) GABRG2GABRB3GABRA5GABRA3GABRA2
SCHEMBL7349707 0.82 GABRG2 (1.00) GABRG2GABRB3GABRA5GABRA3GABRA2
SCHEMBL7355221 0.81 GABRG2 (1.00) GABRG2GABRB3GABRA5GABRA3GABRA2
SCHEMBL7349829 0.79 GABRG2 (0.72) GABRG2GABRB3GABRA5GABRA3GABRA2
SCHEMBL7351801 0.79 GABRG2 (0.72) GABRG2GABRB3GABRA5GABRA3GABRA2
SCHEMBL7358938 0.79 GABRG2 (0.72) GABRG2GABRB3GABRA5GABRA3GABRA2
SCHEMBL7352148 0.79 GABRG2 (0.72) GABRG2GABRB3GABRA5GABRA3GABRA2
SCHEMBL7358883 0.79 GABRG2 (0.68) GABRG2GABRB3GABRA5GABRA3GABRA2
SCHEMBL7355615 0.78 GABRG2 (0.78) GABRG2GABRB3GABRA5GABRA3GABRA2
SCHEMBL7358343 0.78 GABRG2 (0.76) GABRG2GABRB3GABRA5GABRA3GABRA2

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-6156761-A Substituted tetralone derivatives for enhancing cognition MERCK SHARPE & DOHME LIMITED (GB) 2000-12-05 US disclosed