SCHEMBL2877166

SCHEMBL2877166

CS(=O)(=O)C1(CN2C(=O)S/C(=C\c3ccc(Br)cc3)C2=O)CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.47
AURKA O14965 1/20 0.45
MTOR P42345 1/20 0.45
PRKAG1 P54619 1/20 0.43
PRKAA1 Q13131 1/20 0.43
PRKAB1 Q9Y478 1/20 0.43
MCL1 Q07820 1/20 0.42
MAOA P21397 2/20 0.41
MAOB P27338 2/20 0.41
PIM1 P11309 1/20 0.41
PIM2 Q9P1W9 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CISD1 Q9NZ45 2/20 0.40
AKR1B1 P15121 4/20 0.40
MAPK1 P28482 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
SCHEMBL2877167 1.00 PPARG (0.47) PPARGAURKAMTORPRKAG1PRKAA1
SCHEMBL2834249 0.86 AURKA (0.53) PPARGAURKAMTORPRKAG1PRKAA1
SCHEMBL2834247 0.86 AURKA (0.53) PPARGAURKAMTORPRKAG1PRKAA1
SCHEMBL2173141 0.84 AURKA (0.54) PPARGAURKAMTORPRKAG1PRKAA1
SCHEMBL2173145 0.84 AURKA (0.54) PPARGAURKAMTORPRKAG1PRKAA1
SCHEMBL2174102 0.74 AURKA (0.66) PPARGAURKAMTORPRKAG1PRKAA1
SCHEMBL2174106 0.74 AURKA (0.66) PPARGAURKAMTORPRKAG1PRKAA1
SCHEMBL2172001 0.74 AURKA (0.55) PPARGAURKAMTORPRKAG1PRKAA1
SCHEMBL2171996 0.74 AURKA (0.55) PPARGAURKAMTORPRKAG1PRKAA1
SCHEMBL2170994 0.73 AKR1B1 (0.57) PPARGAURKAMTORPRKAG1PRKAA1

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