SCHEMBL3725804

SCHEMBL3725804

O=C(O)c1cc(-c2cn[nH]c2)c(Cl)s1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DAO P14920 2/20 0.46
GPR35 Q9HC97 1/20 0.46
ROCK2 O75116 13/20 0.37
ROCK1 Q13464 11/20 0.37
STING1 Q86WV6 1/20 0.37
AKT1 P31749 1/20 0.36
AKT2 P31751 1/20 0.36

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
SCHEMBL3724785 0.87 ROCK2 (0.42) GPR35ROCK2ROCK1
SCHEMBL3724691 0.82 GPR35 (0.52) DAOGPR35ROCK2ROCK1AKT1
SCHEMBL3728328 0.78 GPR35 (0.46) GPR35ROCK2ROCK1AKT1
SCHEMBL6267316 0.74 DAO (0.55) DAO
SCHEMBL6256292 0.71 DAO (0.52) DAO
SCHEMBL5924808 0.70 DAO (0.50) DAOGPR35
SCHEMBL3724784 0.70 ALAD (0.50) DAOGPR35ROCK2AKT1AKT2
SCHEMBL3725272 0.70 ALDH1A1 (0.57) GPR35ROCK2AKT1AKT2
SCHEMBL20168369 0.69 ROCK2 (0.56) GPR35ROCK2ROCK1AKT1AKT2
SCHEMBL3725063 0.68 ROCK2 (0.41) GPR35ROCK2ROCK1

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