SCHEMBL2834249

SCHEMBL2834249

CS(=O)(=O)Nc1ccc(C=C2SC(=O)N(CC3(S(C)(=O)=O)CCCCC3)C2=O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.53
MTOR P42345 1/20 0.53
PRKAG1 P54619 1/20 0.51
PRKAA1 Q13131 1/20 0.51
PRKAB1 Q9Y478 1/20 0.51
PIP4K2A P48426 3/20 0.42
PIP4K2B P78356 3/20 0.42
PPARG P37231 4/20 0.41
PIP4K2C Q8TBX8 2/20 0.41
AKR1B1 P15121 3/20 0.40
MEN1 O00255 1/20 0.39
PTPN7 P35236 1/20 0.39
KMT2A Q03164 1/20 0.39
CISD1 Q9NZ45 2/20 0.38
IKBKB O14920 1/20 0.38
MAPK1 P28482 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
MYC P01106 1/20 0.38
MAX P61244 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
SCHEMBL2834247 1.00 AURKA (0.53) AURKAMTORPRKAG1PRKAA1PRKAB1
SCHEMBL2174106 0.89 AURKA (0.66) AURKAMTORPRKAG1PRKAA1PRKAB1
SCHEMBL2174102 0.89 AURKA (0.66) AURKAMTORPRKAG1PRKAA1PRKAB1
SCHEMBL2877166 0.86 PPARG (0.47) AURKAMTORPRKAG1PRKAA1PRKAB1
SCHEMBL2877167 0.86 PPARG (0.47) AURKAMTORPRKAG1PRKAA1PRKAB1
SCHEMBL1672813 0.79 PRKAG1 (0.84) AURKAMTORPRKAG1PRKAA1PRKAB1
SCHEMBL1672814 0.79 PRKAG1 (0.84) AURKAMTORPRKAG1PRKAA1PRKAB1
SCHEMBL2172044 0.76 AURKA (0.75) AURKAMTORPRKAG1PRKAA1PRKAB1
SCHEMBL2172045 0.76 AURKA (0.75) AURKAMTORPRKAG1PRKAA1PRKAB1
SCHEMBL2172223 0.75 AURKA (0.71) AURKAMTORPRKAG1PRKAA1PRKAB1

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-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