SCHEMBL7359709

SCHEMBL7359709

CC1CC(=O)c2c(SCc3csc(N)n3)ccc(-c3nccs3)c2C1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 11/20 0.69
GABRB3 P28472 11/20 0.69
GABRA5 P31644 11/20 0.69
GABRA3 P34903 10/20 0.69
GABRA2 P47869 10/20 0.69
GABRA1 P14867 9/20 0.69
ALDH1A1 P00352 3/20 0.34
ATM Q13315 1/20 0.34
ADORA1 P30542 2/20 0.33
NPC1 O15118 4/20 0.32
RAB9A P51151 4/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
PKM P14618 1/20 0.32
TSHR P16473 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 2/20 0.31
HSD17B10 Q99714 2/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL7351801 0.85 GABRG2 (0.72) GABRG2GABRB3GABRA5GABRA3GABRA2
SCHEMBL7349707 0.82 GABRG2 (1.00) GABRG2GABRB3GABRA5GABRA3GABRA2
SCHEMBL7356372 0.82 GABRG2 (0.69) GABRG2GABRB3GABRA5GABRA3GABRA2
SCHEMBL7349829 0.82 GABRG2 (0.72) GABRG2GABRB3GABRA5GABRA3GABRA2
SCHEMBL7358938 0.80 GABRG2 (0.72) GABRG2GABRB3GABRA5GABRA3GABRA2
SCHEMBL7352148 0.80 GABRG2 (0.72) GABRG2GABRB3GABRA5GABRA3GABRA2
SCHEMBL7355615 0.79 GABRG2 (0.78) GABRG2GABRB3GABRA5GABRA3GABRA2
SCHEMBL7351376 0.79 GABRG2 (0.71) GABRG2GABRB3GABRA5GABRA3GABRA2
SCHEMBL7356163 0.79 GABRG2 (1.00) 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