SCHEMBL4576236

SCHEMBL4576236

NC(=O)C(=O)NCc1ccc(C(F)(F)F)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 2/20 0.54
LSS P48449 1/20 0.52
HDAC3 O15379 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC2 Q92769 1/20 0.52
HDAC10 Q969S8 1/20 0.52
HDAC11 Q96DB2 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
MAPK14 Q16539 1/20 0.50
NAMPT P43490 1/20 0.50
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA7 P43166 1/20 0.49
P2RX7 Q99572 2/20 0.47
EPHX2 P34913 2/20 0.47
PPARG P37231 1/20 0.47
PPARA Q07869 1/20 0.47
FFAR1 O14842 1/20 0.47

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
SCHEMBL3897948 0.86 CYP2C9 (0.59) MTORLSSHDAC3HDAC1HDAC2
SCHEMBL15682657 0.85 MTOR (0.52) MTORLSSHDAC3HDAC1HDAC2
SCHEMBL25779257 0.83 MTOR (0.55) MTORRPS6KB1AURKAIDO1
SCHEMBL3417449 0.83 LSS (0.56) MTORLSSHDAC3HDAC1HDAC2
SCHEMBL24575984 0.82 MTOR (0.69) MTORLSSHDAC3HDAC1HDAC2
SCHEMBL29693545 0.81 MLYCD (0.60) MAPK14P2RX7RPS6KB1AURKAAURKB
SCHEMBL4576177 0.81 MLYCD (0.60) MAPK14P2RX7RPS6KB1AURKAAURKB
SCHEMBL1695141 0.80 MTOR (0.58) MTORLSSHDAC3HDAC1HDAC2
SCHEMBL31312515 0.80 BACE1 (0.49) MTORLSSHDAC3HDAC1HDAC2
SCHEMBL4575470 0.79 EPHX2 (0.57) NAMPTCA12CA1CA2CA7

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
EP-1673085-A4 C-MET MODULATORS AND METHODS OF USE EXELIXIS INC (US) 2008-12-10 EP claimed
EP-1673085-A2 C-MET MODULATORS AND METHODS OF USE Exelixis, Inc. (US) 2006-06-28 EP claimed
WO-2005030140-A2 C-MET MODULATORS AND METHODS OF USE EXELIXIS, INC. (US) 2005-04-07 WO claimed
EP-1673085-A4 C-MET MODULATORS AND METHODS OF USE EXELIXIS INC (US) 2008-12-10 EP disclosed
EP-1673085-A2 C-MET MODULATORS AND METHODS OF USE Exelixis, Inc. (US) 2006-06-28 EP disclosed
WO-2005030140-A2 C-MET MODULATORS AND METHODS OF USE EXELIXIS, INC. (US) 2005-04-07 WO disclosed