SCHEMBL4576232

SCHEMBL4576232

NC(=O)C(=O)NCc1ccc(F)cc1C(F)(F)F

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 12/20 0.55
EPHX2 P34913 4/20 0.50
HDAC3 O15379 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
PPARG P37231 2/20 0.49
IDO1 P14902 2/20 0.49
NTRK1 P04629 1/20 0.48
ALOX5 P09917 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
SCHEMBL5723612 0.82 P2RX7 (0.57) P2RX7EPHX2HDAC3HDAC1HDAC2
SCHEMBL4576032 0.80 EPHX2 (0.55) P2RX7EPHX2HDAC3HDAC1HDAC2
SCHEMBL16538118 0.79 P2RX7 (0.57) P2RX7EPHX2HDAC3HDAC1HDAC2
SCHEMBL6355300 0.78 EPHX2 (0.55) P2RX7EPHX2HDAC3HDAC1HDAC2
SCHEMBL4576018 0.77 P2RX7 (0.54) P2RX7EPHX2
SCHEMBL6355022 0.76 EPHX2 (0.53) P2RX7EPHX2HDAC3HDAC1HDAC2
SCHEMBL16972742 0.76 HDAC3 (0.55) P2RX7EPHX2HDAC3HDAC1HDAC2
SCHEMBL13068534 0.74 HDAC3 (0.57) P2RX7EPHX2HDAC3HDAC1HDAC2
SCHEMBL5723611 0.74 IDO1 (0.53) P2RX7EPHX2HDAC3HDAC1HDAC2
SCHEMBL4575400 0.73 P2RX7 (0.51) P2RX7PPARG

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