SCHEMBL13982188

SCHEMBL13982188

CC(F)(F)c1cc(N)cc(Oc2c(Cl)ccc(CNC(=O)c3[nH]cnc3Cl)c2F)c1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.36
NR1H4 Q96RI1 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.34
PTGES O14684 8/20 0.34
LMNA P02545 1/20 0.32
P2RX7 Q99572 1/20 0.31
POLB P06746 1/20 0.31
DDR1 Q08345 1/20 0.31
KLKB1 P03952 1/20 0.31
MAP4K1 Q92918 1/20 0.31

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
SCHEMBL13982214 0.91 LMNA (0.36) EPHX2NR1H4L3MBTL1PTGESLMNA
SCHEMBL13982369 0.88 RORC (0.35) EPHX2PTGESLMNAP2RX7
SCHEMBL13982393 0.88 CYP3A4 (0.33) EPHX2NR1H4L3MBTL1PTGESLMNA
SCHEMBL13982082 0.88 LMNA (0.36) EPHX2PTGESLMNAKLKB1MAP4K1
SCHEMBL13981834 0.88 CYP3A4 (0.36) EPHX2PTGESLMNAP2RX7KLKB1
SCHEMBL3028963 0.88 CYP3A4 (0.42) EPHX2NR1H4L3MBTL1PTGESLMNA
SCHEMBL13982326 0.87 LMNA (0.34) L3MBTL1PTGESLMNAKLKB1MAP4K1
SCHEMBL13982448 0.87 LMNA (0.34) EPHX2NR1H4L3MBTL1PTGESLMNA
SCHEMBL13982327 0.86 LMNA (0.33) EPHX2NR1H4L3MBTL1PTGESLMNA
SCHEMBL13982171 0.86 RORC (0.36) PTGESKLKB1MAP4K1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008154271-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2008-12-18 WO disclosed