SCHEMBL6817628

SCHEMBL6817628

Cc1csc(N(C)C(=O)CCCCCCCC=C(F)F)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC12A5 Q9H2X9 2/20 0.40
CYP2D6 P10635 1/20 0.40
HDAC3 O15379 5/20 0.34
HDAC4 P56524 5/20 0.34
HDAC1 Q13547 5/20 0.34
HDAC7 Q8WUI4 5/20 0.34
HDAC2 Q92769 5/20 0.34
HDAC10 Q969S8 5/20 0.34
HDAC11 Q96DB2 5/20 0.34
HDAC8 Q9BY41 5/20 0.34
HDAC6 Q9UBN7 5/20 0.34
HDAC9 Q9UKV0 5/20 0.34
HDAC5 Q9UQL6 5/20 0.34
LMNA P02545 3/20 0.34
MAPT P10636 2/20 0.34
RAB9A P51151 2/20 0.34
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34
KDM4E B2RXH2 2/20 0.33
MEN1 O00255 2/20 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
SCHEMBL6820533 0.74 NPC1 (0.49) HDAC1HDAC6HDAC9LMNAMAPT
SCHEMBL23723505 0.72 SLC12A5 (0.46) SLC12A5CYP2D6LMNAMAPTRAB9A
SCHEMBL23723568 0.71 SLC12A5 (0.48) SLC12A5CYP2D6LMNAMAPTRAB9A
SCHEMBL23723506 0.71 SLC12A5 (0.48) SLC12A5CYP2D6LMNAMAPTRAB9A
SCHEMBL9955496 0.70 SLC12A5 (0.49) SLC12A5CYP2D6LMNAMAPTRAB9A
SCHEMBL23723516 0.70 SLC12A5 (0.45) SLC12A5CYP2D6LMNAMAPTRAB9A
SCHEMBL13653791 0.69 KDM4E (0.49) SLC12A5CYP2D6LMNAMAPTRAB9A
SCHEMBL6820510 0.68 NPC1 (0.51) LMNAMAPTRAB9AUSP2ALDH1A1
SCHEMBL13653784 0.67 NPC1 (0.54) SLC12A5CYP2D6LMNAMAPTRAB9A
SCHEMBL9956419 0.66 SLC12A5 (0.42) SLC12A5CYP2D6LMNAMAPTRAB9A

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-2004052872-A1 HALOALKENE COMPOUNDS, PROCESS FOR THEIR PRODUCTION AND PESTICIDES CONTAINING THEM ISHIHARA SANGYO KAISHA, LTD. (JP) 2004-06-24 WO disclosed