SCHEMBL4575400

SCHEMBL4575400

NC(=O)C(=O)NCc1ccc(C(F)(F)F)c(F)c1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 5/20 0.51
KIF11 P52732 3/20 0.46
PPARG P37231 1/20 0.45
PPARD Q03181 1/20 0.45
PPARA Q07869 1/20 0.45
PTGER4 P35408 1/20 0.43
PTPN7 P35236 3/20 0.42
DUSP3 P51452 3/20 0.42
HCRTR1 O43613 1/20 0.41
HCRTR2 O43614 1/20 0.41
KCNH2 Q12809 1/20 0.41
RPS6KB1 P23443 1/20 0.41
DAO P14920 1/20 0.40
CTSD P07339 1/20 0.39

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
SCHEMBL4575369 0.88 PTPN7 (0.54) P2RX7PTPN7DUSP3RPS6KB1CTSD
SCHEMBL5208895 0.82 P2RX7 (0.56) P2RX7KIF11PPARGPPARDPPARA
SCHEMBL4576236 0.76 MTOR (0.54) P2RX7PPARGPPARARPS6KB1
SCHEMBL27776461 0.76 KIF11 (0.50) P2RX7KIF11DAO
SCHEMBL16649581 0.76 CNR2 (0.52) PPARG
SCHEMBL18415487 0.76 TRPV1 (0.48) P2RX7PPARG
SCHEMBL31502480 0.76 KIF11 (0.51) P2RX7KIF11PPARGPPARDPPARA
SCHEMBL15682779 0.75 PTPN7 (0.53) P2RX7PTPN7DUSP3RPS6KB1CTSD
SCHEMBL16649936 0.75 KIF11 (0.47) P2RX7KIF11
SCHEMBL4576177 0.75 MLYCD (0.60) P2RX7RPS6KB1

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