SCHEMBL1127325

SCHEMBL1127325

O=C(O)c1c(O)n2ccccc2c(Cc2ccc(F)c(F)c2)c1=O

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.35
S1PR3 Q99500 3/20 0.35
PTGS2 P35354 2/20 0.34
FEN1 P39748 1/20 0.33
PTGS1 P23219 1/20 0.33
KDM5A P29375 1/20 0.33
KDM5B Q9UGL1 1/20 0.33
SIGMAR1 Q99720 2/20 0.32
CHRM1 P11229 1/20 0.32
BAZ2B Q9UIF8 1/20 0.32
BAZ2A Q9UIF9 1/20 0.32
P2RX7 Q99572 1/20 0.32

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
SCHEMBL4289628 0.85 KDM4E (0.44) IDO1S1PR3
SCHEMBL13620387 0.82 AR (0.36) PTGS2PTGS1SIGMAR1
SCHEMBL13620403 0.80 BAZ2B (0.41) IDO1PTGS2BAZ2BBAZ2A
SCHEMBL13620039 0.80 ERCC5 (0.46) FEN1CHRM1
SCHEMBL1128142 0.74 KDM4E (0.46) IDO1
SCHEMBL1127254 0.71 ALDH1A1 (0.48) IDO1
SCHEMBL1127987 0.70 ALDH1A1 (0.49) IDO1
SCHEMBL1128375 0.68 PTGES (0.48) IDO1
SCHEMBL1127411 0.67 ALDH1A1 (0.43) IDO1BAZ2BBAZ2A
SCHEMBL13619827 0.67 IDO1 (0.34) IDO1PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2283002-A2 NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION Intermune, Inc. (US) 2011-02-16 EP disclosed
WO-2009134616-A2 NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2009-11-05 WO disclosed
WO-2009134616-A2 NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2009-11-05 WO disclosed