SCHEMBL7354537

SCHEMBL7354537

CC1CC(=O)c2c(OS(=O)(=O)c3cccs3)ccc(-c3nccs3)c2C1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 10/20 0.54
GABRB3 P28472 10/20 0.54
GABRA5 P31644 10/20 0.54
GABRA3 P34903 10/20 0.54
GABRA2 P47869 10/20 0.54
GABRA1 P14867 9/20 0.54
STAT3 P40763 1/20 0.32
F2 P00734 1/20 0.32
BRD4 O60885 2/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 1/20 0.31
ADRA1D P25100 1/20 0.31
ADRA1A P35348 1/20 0.31
NPC1 O15118 1/20 0.30
USP2 O75604 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL7354407 0.85 GABRA1 (0.54) GABRG2GABRB3GABRA5GABRA3GABRA2
SCHEMBL7359238 0.82 GABRA1 (0.56) GABRG2GABRB3GABRA5GABRA3GABRA2
SCHEMBL7357100 0.81 KDM4E (0.35) GABRG2GABRB3GABRA5GABRA3GABRA2
SCHEMBL7355336 0.76 GABRG2 (0.58) GABRG2GABRB3GABRA5GABRA3GABRA2
SCHEMBL7350948 0.76 GABRG2 (0.58) GABRG2GABRB3GABRA5GABRA3GABRA2
SCHEMBL7359714 0.74 GABRG2 (0.67) GABRG2GABRB3GABRA5GABRA3GABRA2
SCHEMBL7355224 0.74 GABRA1 (0.56) GABRG2GABRB3GABRA5GABRA3GABRA2
SCHEMBL7355615 0.73 GABRG2 (0.78) GABRG2GABRB3GABRA5GABRA3GABRA2
SCHEMBL7349707 0.70 GABRG2 (1.00) GABRG2GABRB3GABRA5GABRA3GABRA2
SCHEMBL7355146 0.69 GABRG2 (0.70) 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