SCHEMBL1672813

SCHEMBL1672813

CS(=O)(=O)C1(CN2C(=O)S/C(=C\c3ccc(NS(=O)(=O)c4ccc([N+](=O)[O-])c(C(F)(F)F)c4)cc3)C2=O)CCCCC1

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKAG1 P54619 1/20 0.84
PRKAA1 Q13131 1/20 0.84
PRKAB1 Q9Y478 1/20 0.84
AURKA O14965 1/20 0.67
MTOR P42345 1/20 0.67
MEN1 O00255 7/20 0.38
ALDH1A1 P00352 7/20 0.38
KMT2A Q03164 7/20 0.38
MAPT P10636 7/20 0.38
LMNA P02545 4/20 0.38
TDP1 Q9NUW8 4/20 0.38
BLM P54132 3/20 0.38
POLB P06746 3/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
KDM4E B2RXH2 2/20 0.38
PKM P14618 2/20 0.38
THRB P10828 1/20 0.38
APEX1 P27695 1/20 0.38
RECQL P46063 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL1672814 1.00 PRKAG1 (0.84) PRKAG1PRKAA1PRKAB1AURKAMTOR
SCHEMBL1615003 0.91 PRKAG1 (1.00) PRKAG1PRKAA1PRKAB1AURKAMTOR
SCHEMBL1615001 0.91 PRKAG1 (1.00) PRKAG1PRKAA1PRKAB1AURKAMTOR
SCHEMBL29434995 0.91 PRKAG1 (1.00) PRKAG1PRKAA1PRKAB1AURKAMTOR
SCHEMBL12712488 0.80 AURKA (1.00) PRKAG1PRKAA1PRKAB1AURKAMTOR
SCHEMBL2834247 0.79 AURKA (0.53) PRKAG1PRKAA1PRKAB1AURKAMTOR
SCHEMBL2834249 0.79 AURKA (0.53) PRKAG1PRKAA1PRKAB1AURKAMTOR
SCHEMBL1615171 0.79 PRKAG1 (0.66) PRKAG1PRKAA1PRKAB1AURKAMTOR
SCHEMBL1669842 0.79 PRKAG1 (0.66) PRKAG1PRKAA1PRKAB1AURKAMTOR
SCHEMBL1672815 0.78 PRKAG1 (0.64) 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