SCHEMBL8780975

SCHEMBL8780975

[CH2]C#Cc1ccccc1Br

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.42
ALDH1A1 P00352 3/20 0.35
APP P05067 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
MAPT P10636 1/20 0.32
CYP2C9 P11712 1/20 0.32
HPGD P15428 1/20 0.32
CYP2C19 P33261 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MAPK1 P28482 1/20 0.32
CA2 P00918 2/20 0.31
CA12 O43570 1/20 0.31
CA9 Q16790 1/20 0.31
CA1 P00915 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
SCHEMBL30468202 0.84 FFAR1 (0.47) FFAR1ALDH1A1APPKDM4EMEN1
SCHEMBL2466535 0.84 FFAR1 (0.47) FFAR1ALDH1A1APPKDM4EMEN1
SCHEMBL12408477 0.80 FFAR1 (0.59) FFAR1ALDH1A1APPKDM4EMEN1
SCHEMBL2173149 0.79 FFAR1 (0.41) FFAR1ALDH1A1APPKDM4EMEN1
SCHEMBL1920588 0.78 FFAR1 (0.57) FFAR1ALDH1A1APPKDM4EMEN1
SCHEMBL29843195 0.78 FFAR1 (0.57) FFAR1ALDH1A1APPKDM4EMEN1
SCHEMBL28401249 0.77 FFAR1 (0.40) FFAR1ALDH1A1MAPK1CA2CA1
SCHEMBL28752319 0.76 FFAR1 (0.56) FFAR1ALDH1A1APPKDM4EMEN1
SCHEMBL28782140 0.76 ALDH1A1 (0.33) ALDH1A1MEN1CYP1A2CYP3A4MAPT
SCHEMBL3282977 0.75 FFAR1 (0.42) FFAR1ALDH1A1KDM4EMEN1NPC1

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
EP-0810199-A1 Method for producing propargylamine compounds SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-12-03 EP disclosed