SCHEMBL7354407

SCHEMBL7354407

Cc1ccc(S(=O)(=O)Oc2ccc(-c3nccs3)c3c2C(=O)CC(C)C3)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 9/20 0.54
GABRG2 P18507 9/20 0.54
GABRB3 P28472 9/20 0.54
GABRA5 P31644 9/20 0.54
GABRA3 P34903 9/20 0.54
GABRA2 P47869 9/20 0.54
HTR6 P50406 1/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
GAA P10253 2/20 0.33
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
RAB9A P51151 1/20 0.33
ALDH1A1 P00352 1/20 0.32
CA12 O43570 1/20 0.32
CA2 P00918 1/20 0.32
MAPT P10636 2/20 0.32
TDP1 Q9NUW8 2/20 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
SCHEMBL7354537 0.85 GABRG2 (0.54) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7359238 0.82 GABRA1 (0.56) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7355336 0.76 GABRG2 (0.58) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7359714 0.74 GABRG2 (0.67) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7355224 0.74 GABRA1 (0.56) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7355615 0.73 GABRG2 (0.78) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7349707 0.70 GABRG2 (1.00) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7358343 0.67 GABRG2 (0.76) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7358938 0.67 GABRG2 (0.72) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7349829 0.65 GABRG2 (0.72) GABRA1GABRG2GABRB3GABRA5GABRA3

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