SCHEMBL28705994

SCHEMBL28705994

N#CCC=Cc1ccc(Br)c(C(F)(F)F)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 3/20 0.38
NOTUM Q6P988 2/20 0.36
P4HB P07237 2/20 0.33
TAS2R14 Q9NYV8 1/20 0.33
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
MAPT P10636 3/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
LMNA P02545 2/20 0.32
XBP1 P17861 1/20 0.32
PIM1 P11309 1/20 0.31
HTT P42858 2/20 0.31
EPHX1 P07099 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
KIF11 P52732 2/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
AR P10275 2/20 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
SCHEMBL28500278 1.00 APP (0.38) APPNOTUMP4HBTAS2R14PDE3B
SCHEMBL2091864 0.86 APP (0.40) APPNOTUMP4HBTAS2R14PDE3B
SCHEMBL2091867 0.86 APP (0.40) APPNOTUMP4HBTAS2R14PDE3B
SCHEMBL2096401 0.81 APP (0.42) APPNOTUMTAS2R14PDE3BPDE3A
SCHEMBL2096398 0.81 APP (0.42) APPNOTUMTAS2R14PDE3BPDE3A
SCHEMBL2091870 0.79 APP (0.41) APPNOTUMTAS2R14PDE3BPDE3A
SCHEMBL2096636 0.78 APP (0.38) APPNOTUMTAS2R14MAPTMEN1
SCHEMBL2096633 0.78 APP (0.38) APPNOTUMTAS2R14MAPTMEN1
SCHEMBL5537211 0.77 APP (0.37) APPNOTUMTAS2R14MAPTMEN1
SCHEMBL5537215 0.77 APP (0.37) APPNOTUMTAS2R14MAPTMEN1

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
CN-112210132-B Oil-resistant corrosion-resistant heel mark material and preparation method thereof 浙江中瑞橡胶高分子材料股份有限公司 2022-04-01 CN claimed