SCHEMBL12912988

SCHEMBL12912988

CC1(C)NC(=O)C(F)(F)C(=O)NC(C)(C)C(=O)Nc2cc(Cl)c(Cl)cc2NC1=O

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 6/20 0.36
▸ AKR1B1 P15121 1/20 0.36
▸ CES1 P23141 1/20 0.35
▸ MAPT P10636 2/20 0.32
▸ PDE7A Q13946 1/20 0.32
▸ PGR P06401 2/20 0.31
▸ MAOB P27338 1/20 0.31
▸ AR P10275 1/20 0.31
▸ MGAT2 Q10469 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ KMT2A Q03164 1/20 0.30

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
SCHEMBL14207166 0.85 AKR1B1 (0.37) HTR6AKR1B1CES1PDE7APGR
SCHEMBL12946119 0.82 HTR6 (0.31) HTR6MGAT2
SCHEMBL13773277 0.79 LMNA (0.38) HTR6AKR1B1CES1PDE7APGR
SCHEMBL9076137 0.69 CHEK1 (0.44) HTR6AKR1B1CES1MAPTPGR
SCHEMBL24690661 0.66 PGR (0.53) AKR1B1CES1PDE7APGRMAOB
SCHEMBL21624206 0.66 PGR (0.35) AKR1B1PGR
SCHEMBL30832442 0.65 POLB (0.30) —
SCHEMBL9379504 0.64 BRD4 (0.45) HTR6AKR1B1CES1MAPTPDE7A
SCHEMBL3596379 0.63 MGAT2 (0.37) MAPTPGRMGAT2MEN1KMT2A
SCHEMBL7170898 0.63 CSNK1G1 (0.45) AKR1B1MAPTMGAT2MEN1KMT2A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8647781-B2 Redox fuel cells ACAL ENERGY LIMITED (GB) 2014-02-11 — — US disclosed
US-8647781-B2 Redox fuel cells ACAL ENERGY LIMITED (GB) 2014-02-11 — — US disclosed
US-20130126443-A1 CARBON SUPPORTED TETRAAMIDO MACROCYCLIC LIGAND CATALYTIC ACTIVATORS AND METHODS FOR MAKING THE SAME CARNEGIE MELLON UNIVERSITY (US) 2013-05-23 — — US disclosed
EP-2235781-B1 REDOX FUEL CELLS ACAL ENERGY LTD (GB) 2012-10-24 — — EP disclosed
US-20110014532-A1 REDOX FUEL CELLS ACAL ENERGY LIMITED (GB) 2011-01-20 — — US disclosed
WO-2009093082-A1 REDOX FUEL CELLS ACAL ENERGY LIMITED (GB) 2009-07-30 — — WO disclosed
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