SCHEMBL1669842

SCHEMBL1669842

CC(C1CCCCC1)N1C(=O)S/C(=C\c2ccc(NS(=O)(=O)c3ccc([N+](=O)[O-])c(C(F)(F)F)c3)cc2)C1=O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKAG1 P54619 1/20 0.66
PRKAA1 Q13131 1/20 0.66
PRKAB1 Q9Y478 1/20 0.66
AURKA O14965 1/20 0.52
MTOR P42345 1/20 0.52
PTPN1 P18031 3/20 0.40
TOP2A P11388 1/20 0.39
ESRRA P11474 1/20 0.38
BCL2 P10415 2/20 0.36
LMNA P02545 3/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
GPR55 Q9Y2T6 1/20 0.36
ALDH1A1 P00352 2/20 0.35
CES2 O00748 1/20 0.35
ABCB11 O95342 1/20 0.35
CYP1A2 P05177 1/20 0.35
GLA P06280 1/20 0.35
CYP3A4 P08684 1/20 0.35
ADORA3 P0DMS8 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
SCHEMBL1615171 1.00 PRKAG1 (0.66) PRKAG1PRKAA1PRKAB1AURKAMTOR
SCHEMBL1672815 0.92 PRKAG1 (0.64) PRKAG1PRKAA1PRKAB1AURKAMTOR
SCHEMBL2172876 0.87 AURKA (0.52) PRKAG1PRKAA1PRKAB1AURKAMTOR
SCHEMBL15204184 0.87 AURKA (0.52) PRKAG1PRKAA1PRKAB1AURKAMTOR
SCHEMBL1670279 0.85 AURKA (0.50) PRKAG1PRKAA1PRKAB1AURKAMTOR
SCHEMBL1614599 0.85 AURKA (0.50) PRKAG1PRKAA1PRKAB1AURKAMTOR
SCHEMBL2788140 0.83 AURKA (0.47) PRKAG1PRKAA1PRKAB1AURKAMTOR
SCHEMBL2172941 0.83 AURKA (0.47) PRKAG1PRKAA1PRKAB1AURKAMTOR
SCHEMBL2786293 0.81 ALDH1A1 (0.47) PRKAG1PRKAA1PRKAB1AURKAMTOR
SCHEMBL2172048 0.81 ALDH1A1 (0.47) 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 4 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
EP-2254576-A1 ANDROGEN RECEPTOT-ABLATIVE AGENTS The Ohio State University Research Foundation (US) 2010-12-01 EP disclosed
WO-2009105621-A1 ANDROGEN RECEPTOT-ABLATIVE AGENTS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2009-08-27 WO disclosed