SCHEMBL13982249

SCHEMBL13982249

Nc1cc(Oc2c(Cl)ccc(CNC(=O)c3[nH]cnc3Br)c2F)cc(C(F)(F)F)c1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGES O14684 7/20 0.35
DDR1 Q08345 3/20 0.33
TLR8 Q9NR97 2/20 0.33
EPHX2 P34913 3/20 0.32
NR1H4 Q96RI1 2/20 0.32
TP53 P04637 1/20 0.32
LMNA P02545 1/20 0.32
P2RX7 Q99572 1/20 0.31
TLR7 Q9NYK1 2/20 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
SCHEMBL13982203 0.90 LMNA (0.35) PTGESEPHX2LMNA
SCHEMBL3029330 0.88 CYP3A4 (0.40) PTGESDDR1TLR8EPHX2TP53
SCHEMBL13982190 0.87 PTGES (0.36) PTGESLMNA
SCHEMBL13982250 0.86 PTGES (0.38) PTGESDDR1TLR8EPHX2NR1H4
SCHEMBL13982112 0.85 DDR1 (0.35) PTGESDDR1TLR8EPHX2NR1H4
SCHEMBL13982188 0.85 EPHX2 (0.36) PTGESDDR1EPHX2NR1H4LMNA
SCHEMBL13217776 0.85 TLR8 (0.40) PTGESDDR1TLR8EPHX2NR1H4
SCHEMBL13982214 0.83 LMNA (0.36) PTGESEPHX2NR1H4LMNAP2RX7
SCHEMBL13982216 0.83 P2RX7 (0.35) PTGESEPHX2LMNAP2RX7
SCHEMBL13982267 0.83 AKR1B1 (0.33) PTGESEPHX2LMNA

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