SCHEMBL1672882

SCHEMBL1672882

CC(C1CCCCC1)N1C(=O)SC(=Cc2ccc(NS(=O)(=O)c3ccccc3)cc2)C1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 4/20 0.45
AURKA O14965 1/20 0.42
MTOR P42345 1/20 0.42
KMT2A Q03164 6/20 0.42
MEN1 O00255 5/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.42
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
MCL1 Q07820 4/20 0.40
LMNA P02545 1/20 0.40
PRKAG1 P54619 1/20 0.40
PRKAA1 Q13131 1/20 0.40
PRKAB1 Q9Y478 1/20 0.40
CYP1A2 P05177 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL2786293 0.91 ALDH1A1 (0.47) BCL2AURKAMTORKMT2AMEN1
SCHEMBL2172048 0.91 ALDH1A1 (0.47) BCL2AURKAMTORKMT2AMEN1
SCHEMBL2786112 0.91 AURKA (0.43) BCL2AURKAMTORKMT2AMEN1
SCHEMBL2172237 0.91 AURKA (0.43) BCL2AURKAMTORKMT2AMEN1
SCHEMBL1614322 0.89 MAPT (0.47) AURKAMTORKMT2AMEN1ALDH1A1
SCHEMBL2785875 0.88 MEN1 (0.43) AURKAMTORKMT2AMEN1ALDH1A1
SCHEMBL2785880 0.88 MEN1 (0.43) AURKAMTORKMT2AMEN1ALDH1A1
SCHEMBL1670279 0.88 AURKA (0.50) BCL2AURKAMTORKMT2AMEN1
SCHEMBL1614599 0.88 AURKA (0.50) BCL2AURKAMTORKMT2AMEN1
SCHEMBL2174333 0.88 KMT2A (0.46) AURKAMTORKMT2AMEN1ALDH1A1

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