SCHEMBL3728328

SCHEMBL3728328

CCc1sc(C(=O)O)cc1-c1cn[nH]c1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 1/20 0.46
ROCK2 O75116 15/20 0.38
ROCK1 Q13464 15/20 0.38
MTOR P42345 1/20 0.36
POLQ O75417 1/20 0.35
AKT1 P31749 1/20 0.35

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
SCHEMBL3725063 0.89 ROCK2 (0.41) GPR35ROCK2ROCK1POLQ
SCHEMBL3724691 0.81 GPR35 (0.52) GPR35ROCK2ROCK1MTORPOLQ
SCHEMBL3725804 0.78 DAO (0.46) GPR35ROCK2ROCK1AKT1
SCHEMBL13260952 0.77 ROCK2 (0.39) GPR35ROCK2ROCK1POLQ
SCHEMBL1802291 0.76 PLAU (0.47)
SCHEMBL3730621 0.74 DAO (0.36)
SCHEMBL25349742 0.70 MAPK14 (0.37)
SCHEMBL3724785 0.69 ROCK2 (0.42) GPR35ROCK2ROCK1POLQ
SCHEMBL2323109 0.69 L3MBTL1 (0.53)
SCHEMBL1529951 0.69 ALDH1A1 (0.34) AKT1

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
WO-2010093885-A1 INHIBITORS OF AKT ACTIVITY GLAXOSMITHKLINE LLC (US) 2010-08-19 WO disclosed
WO-2010093885-A1 INHIBITORS OF AKT ACTIVITY GLAXOSMITHKLINE LLC (US) 2010-08-19 WO disclosed