SCHEMBL7979569

SCHEMBL7979569

FC(F)(F)c1ccc(CNCCCCOc2c(Cl)cc(OCC=C(Br)Br)cc2Cl)nc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN8A Q9UQD0 2/20 0.34
HDAC3 O15379 3/20 0.32
HDAC4 P56524 3/20 0.32
HDAC1 Q13547 3/20 0.32
HDAC7 Q8WUI4 3/20 0.32
HDAC2 Q92769 3/20 0.32
HDAC10 Q969S8 3/20 0.32
HDAC11 Q96DB2 3/20 0.32
HDAC8 Q9BY41 3/20 0.32
HDAC6 Q9UBN7 3/20 0.32
HDAC9 Q9UKV0 3/20 0.32
HDAC5 Q9UQL6 3/20 0.32
KDR P35968 2/20 0.32
CNR1 P21554 2/20 0.32
CNR2 P34972 1/20 0.32
PDE2A O00408 1/20 0.32
S1PR2 O95136 1/20 0.32
S1PR1 P21453 1/20 0.32
S1PR3 Q99500 1/20 0.32
LPAR2 Q9HBW0 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
SCHEMBL7976368 0.97 SCN8A (0.36) SCN8AHDAC3HDAC4HDAC1HDAC7
SCHEMBL7976373 0.92 SCN8A (0.34) SCN8AHDAC3HDAC4HDAC1HDAC7
SCHEMBL7979291 0.89 SCN8A (0.37) SCN8ACNR1CNR2PDE2ABACE1
SCHEMBL7979631 0.86 SCN8A (0.38) SCN8APDE2ABACE1KDM1AMAOA
SCHEMBL7976161 0.84 SCN8A (0.34) SCN8ACNR1CNR2PDE2AS1PR2
SCHEMBL7976088 0.84 SCN8A (0.35) SCN8ACNR1CNR2PDE2ABACE1
SCHEMBL8075814 0.83 SCN8A (0.39) SCN8ACNR1CNR2PDE2AS1PR2
SCHEMBL7977978 0.83 SCN8A (0.40) SCN8APDE2ABACE1KDM1AMAOA
SCHEMBL7979572 0.83 SCN9A (0.43)
SCHEMBL7979403 0.81 SCN8A (0.42) SCN8APDE2AS1PR2S1PR1S1PR3

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
US-6214835-B1 CONTROLLING INSECTS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-04-10 US disclosed