SCHEMBL5960232

SCHEMBL5960232

Cc1[nH]c2ccc(Br)cc2c1C(=O)OC(C)(C)C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.49
NR4A2 P43354 2/20 0.44
GABRA1 P14867 7/20 0.44
GABRA3 P34903 7/20 0.44
GABRG2 P18507 6/20 0.44
GABRB3 P28472 6/20 0.44
GABRA2 P47869 6/20 0.44
MAPT P10636 2/20 0.44
PKM P14618 1/20 0.44
LMNA P02545 2/20 0.43
HPGD P15428 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
GABRA5 P31644 4/20 0.41
GABRA4 P48169 3/20 0.41
GABRA6 Q16445 3/20 0.41
PRNP P04156 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
PPARG P37231 1/20 0.41

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
SCHEMBL7815779 0.84 GAA (0.68) GAANR4A2GABRA1GABRA3GABRG2
SCHEMBL7356882 0.83 GAA (0.49) GAANR4A2GABRA1GABRA3GABRG2
SCHEMBL5960274 0.82 GABRA1 (0.52) GAANR4A2GABRA1GABRA3GABRG2
SCHEMBL17203149 0.82 KDM4E (0.58) GAANR4A2GABRA1GABRA3GABRG2
SCHEMBL21954408 0.82 GAA (0.72) GAAGABRA1GABRA3MAPTPKM
SCHEMBL17205786 0.81 RAB9A (0.59) GAANR4A2GABRA1GABRA3GABRG2
SCHEMBL3640484 0.81 CYP1A2 (0.51) GAANR4A2GABRA1GABRA3GABRG2
SCHEMBL15174105 0.80 NR4A2 (0.69) GAANR4A2GABRA1GABRA3GABRG2
SCHEMBL2150840 0.79 ALOX5 (0.40) GAANR4A2GABRA1GABRA3GABRG2
SCHEMBL5235955 0.77 MAPT (0.43) GAANR4A2GABRA1GABRA3GABRG2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1682553-A1 THIENOPYRAZOLES Aventis Pharmaceuticals Inc. (US) 2006-07-26 EP disclosed
WO-2005026175-A1 THIENOPYRAZOLES AVENTIS PHARMACEUTICALS INC. (US) 2005-03-24 WO disclosed