SCHEMBL13982124

SCHEMBL13982124

Cc1nc(Br)c(C(=O)NCc2ccc(Cl)c(Oc3cc(N)cc(Cl)n3)c2F)[nH]1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGES O14684 12/20 0.33
P2RX7 Q99572 2/20 0.33
CHRM4 P08173 1/20 0.32
EPHX2 P34913 1/20 0.32
NR1H4 Q96RI1 1/20 0.32
ROCK2 O75116 1/20 0.32
ROCK1 Q13464 1/20 0.32
MEP1B Q16820 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
SCHEMBL13982122 0.92 PTGES (0.34) PTGESP2RX7CHRM4EPHX2NR1H4
SCHEMBL3802046 0.89 CYP3A4 (0.39) PTGESP2RX7EPHX2
SCHEMBL13982199 0.87 PTGES (0.36) PTGES
SCHEMBL13982167 0.87 PTGES (0.35) PTGESP2RX7
SCHEMBL13982396 0.85 PTGES (0.33) PTGES
SCHEMBL13982250 0.84 PTGES (0.38) PTGESP2RX7EPHX2NR1H4
SCHEMBL13982397 0.83 L3MBTL1 (0.35) PTGESP2RX7EPHX2NR1H4
SCHEMBL13982110 0.83 PTGES (0.34) PTGESP2RX7
SCHEMBL3028560 0.81 CYP3A4 (0.39) PTGESP2RX7EPHX2
SCHEMBL13981694 0.81 PTGES (0.33) PTGESP2RX7

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