SCHEMBL7669971

SCHEMBL7669971

Cc1ccc(S(=O)(=O)Oc2nn3c(-c4cc(C)on4)nncc3c2C(C)(C)C)cc1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 8/20 0.55
GABRG2 P18507 8/20 0.55
GABRB3 P28472 8/20 0.55
GABRA5 P31644 8/20 0.55
GABRA3 P34903 8/20 0.55
GABRA2 P47869 8/20 0.55
GABRA4 P48169 2/20 0.55
PTGS2 P35354 1/20 0.33
KEAP1 Q14145 1/20 0.33
NFE2L2 Q16236 1/20 0.33
GABRA6 Q16445 1/20 0.33
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
LMNA P02545 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
SCHEMBL15201912 0.85 GABRA1 (0.45) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL5228078 0.79 GABRG2 (0.44) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7669649 0.78 RAB9A (0.35) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL19575097 0.77 GABRG2 (0.67) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7672131 0.74 GABRG2 (0.68) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7665902 0.74 GABRA1 (0.57) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7483435 0.74 GABRA1 (0.57) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7667586 0.73 GABRA1 (0.66) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL19575090 0.73 GABRA1 (0.63) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL2461269 0.71 GABRG2 (1.00) 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-6355638-B1 COGNITION ACTIVATORS MERCK SHARP & DOHME LTD. (GB) 2002-03-12 US disclosed