SCHEMBL1672815

SCHEMBL1672815

CS(=O)(=O)C(C1CCCCC1)N1C(=O)SC(=Cc2ccc(NS(=O)(=O)c3ccc([N+](=O)[O-])c(C(F)(F)F)c3)cc2)C1=O

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PRKAG1 P54619 1/20 0.64
PRKAA1 Q13131 1/20 0.64
PRKAB1 Q9Y478 1/20 0.64
AURKA O14965 1/20 0.50
MTOR P42345 1/20 0.50
PTPN1 P18031 3/20 0.39
TOP2A P11388 1/20 0.38
ESRRA P11474 1/20 0.36
BCL2 P10415 3/20 0.35
LMNA P02545 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
GPR55 Q9Y2T6 1/20 0.34
HPGD P15428 3/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP19A1 P11511 1/20 0.33
BACE1 P56817 1/20 0.33

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
SCHEMBL1669842 0.92 PRKAG1 (0.66) PRKAG1PRKAA1PRKAB1AURKAMTOR
SCHEMBL1615171 0.92 PRKAG1 (0.66) PRKAG1PRKAA1PRKAB1AURKAMTOR
SCHEMBL2834251 0.79 PIP4K2A (0.40) PRKAG1PRKAA1PRKAB1AURKAMTOR
SCHEMBL15204184 0.79 AURKA (0.52) PRKAG1PRKAA1PRKAB1AURKAMTOR
SCHEMBL2172876 0.79 AURKA (0.52) PRKAG1PRKAA1PRKAB1AURKAMTOR
SCHEMBL1672814 0.78 PRKAG1 (0.84) PRKAG1PRKAA1PRKAB1AURKAMTOR
SCHEMBL1672813 0.78 PRKAG1 (0.84) PRKAG1PRKAA1PRKAB1AURKAMTOR
SCHEMBL1615001 0.78 PRKAG1 (1.00) PRKAG1PRKAA1PRKAB1AURKAMTOR
SCHEMBL29434995 0.78 PRKAG1 (1.00) PRKAG1PRKAA1PRKAB1AURKAMTOR
SCHEMBL1615003 0.78 PRKAG1 (1.00) PRKAG1PRKAA1PRKAB1AURKAMTOR

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-2488027-A1 THIAZOLIDINEDIONE ENERGY RESTRICTION-MIMETIC AGENTS The Ohio State University Research Foundation (US) 2012-08-22 EP claimed
WO-2011044548-A1 THIAZOLIDINEDIONE ENERGY RESTRICTION-MIMETIC AGENTS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2011-04-14 WO claimed