SCHEMBL318085

SCHEMBL318085

O=C(NCc1ccc(C2=NCC(c3cc(Cl)c(Cl)c(Cl)c3)(C(F)(F)F)C2)cc1Br)C1CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 5/20 0.35
NR1H4 Q96RI1 1/20 0.35
PTGES O14684 1/20 0.34
KIT P10721 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34
CYP2D6 P10635 1/20 0.34
PKM P14618 1/20 0.34
CYP2C19 P33261 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
MAPT P10636 1/20 0.33
KCNH2 Q12809 2/20 0.33
MCHR1 Q99705 2/20 0.33
P2RX7 Q99572 1/20 0.33
GAA P10253 2/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 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
SCHEMBL3749476 0.92 EPHX2 (0.35) EPHX2PTGESKITHDAC1HDAC8
SCHEMBL318197 0.89 EPHX2 (0.37) EPHX2NR1H4PTGESP2RX7
SCHEMBL318073 0.85 EPHX2 (0.35) EPHX2NR1H4P2RX7ALDH1A1
SCHEMBL318019 0.84 EPHX2 (0.40) EPHX2NR1H4
SCHEMBL318389 0.83 EPHX2 (0.33) EPHX2NR1H4PTGESP2RX7
SCHEMBL318477 0.83 EPHX2 (0.34) EPHX2NR1H4
SCHEMBL926057 0.80 EPHX2 (0.35) EPHX2NR1H4MAPTPOLB
SCHEMBL2697871 0.80 NOTUM (0.34) EPHX2NR1H4
SCHEMBL318968 0.79 BACE1 (0.34) EPHX2NR1H4PTGESP2RX7
SCHEMBL319713 0.78 EPHX2 (0.37) EPHX2NR1H4PTGESP2RX7

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