SCHEMBL318389

SCHEMBL318389

CCC(=O)NCc1ccc(C2=NCC(c3cc(Cl)c(Cl)c(C(F)(F)F)c3)(C(F)(F)F)C2)cc1Br

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.33
NR1H4 Q96RI1 1/20 0.33
P2RX7 Q99572 10/20 0.31
DDR1 Q08345 1/20 0.31
PTGES O14684 1/20 0.30

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
SCHEMBL318197 0.94 EPHX2 (0.37) EPHX2NR1H4P2RX7DDR1PTGES
SCHEMBL319713 0.89 EPHX2 (0.37) EPHX2NR1H4P2RX7DDR1PTGES
SCHEMBL318968 0.88 BACE1 (0.34) EPHX2NR1H4P2RX7DDR1PTGES
SCHEMBL318920 0.86 P2RX7 (0.35) P2RX7DDR1PTGES
SCHEMBL327465 0.86 TRPV1 (0.35) P2RX7PTGES
SCHEMBL318073 0.85 EPHX2 (0.35) EPHX2NR1H4P2RX7
SCHEMBL318019 0.85 EPHX2 (0.40) EPHX2NR1H4
SCHEMBL318477 0.84 EPHX2 (0.34) EPHX2NR1H4
SCHEMBL318085 0.83 EPHX2 (0.35) EPHX2NR1H4P2RX7PTGES
SCHEMBL325531 0.82 EPHX2 (0.35) EPHX2NR1H4

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-2012004326-A1 PESTICIDAL PYRROLINE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2012-01-12 WO disclosed