SCHEMBL13615486

SCHEMBL13615486

Bc1ccc(OC(F)(F)F)c(F)c1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 7/20 0.50
PDE2A O00408 5/20 0.46
SLC7A5 Q01650 1/20 0.38
CTSK P43235 1/20 0.34
NAAA Q02083 1/20 0.34
ABL1 P00519 1/20 0.34
FAAH O00519 1/20 0.32
GPR3 P46089 1/20 0.32
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
GRM2 Q14416 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
Water SCHEMBL27879146 0.98 EPHX2 (0.49) EPHX2PDE2ASLC7A5CTSKNAAA
Water SCHEMBL27879127 0.82 EPHX2 (0.38) EPHX2PDE2AGRM2
SCHEMBL13555174 0.79 SCN5A (0.42) EPHX2PDE2AGPR3GRM2
SCHEMBL12566385 0.78 EPHX2 (0.53) EPHX2PDE2ASLC7A5GPR3
SCHEMBL2093568 0.77 EPHX2 (0.51) EPHX2PDE2ASLC7A5CTSKNAAA
SCHEMBL19033849 0.75 EPHX2 (0.50) EPHX2PDE2ASLC7A5CTSKNAAA
SCHEMBL425877 0.75 EPHX2 (0.50) EPHX2PDE2ASLC7A5
SCHEMBL1253983 0.75 EPHX2 (0.54) EPHX2PDE2ASLC7A5CTSKNAAA
SCHEMBL7779423 0.75 EPHX2 (0.50) EPHX2PDE2ASLC7A5CTSKNAAA
SCHEMBL2093572 0.75 EPHX2 (0.50) EPHX2PDE2ASLC7A5CTSKNAAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9198913-B2 Nitroimidazooxazines and their uses in anti-tubercular therapy GLOBAL ALLIANCE FOR TB DRUG DEVELOPMENT (US) 2015-12-01 US disclosed
EP-2459571-B1 NITROIMIDAZOOXAZINES AND THEIR USES IN ANTI-TUBERCULAR THERAPY GLOBAL ALLIANCE FOR TB DRUG DEV (US) 2015-03-11 EP disclosed
EP-2116522-A1 PENTACYCLIC LIQUID CRYSTAL COMPOUND HAVING CF<SB>2</SB>O BONDING GROUP, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY Chisso Corporation (JP) 2009-11-11 EP disclosed
EP-1756064-B1 PYRAZOLE DERIVATIVES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE MERCK & CO INC (US) 2008-05-14 EP disclosed