SCHEMBL5134940

SCHEMBL5134940

Fc1cccc(F)c1C#Cc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.57
MAPT P10636 2/20 0.44
KCNH2 Q12809 1/20 0.43
NPC1 O15118 4/20 0.42
RAB9A P51151 3/20 0.42
GRM5 P41594 2/20 0.41
FFAR1 O14842 3/20 0.41
FFAR4 Q5NUL3 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
CYP1A2 P05177 3/20 0.40
CYP3A4 P08684 3/20 0.40
CYP2C9 P11712 3/20 0.40
CYP2C19 P33261 3/20 0.40
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
KMT2A Q03164 2/20 0.40
HSD17B10 Q99714 1/20 0.40
THPO P40225 2/20 0.39

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
SCHEMBL7607569 0.87 KCNH2 (0.50) APPMAPTKCNH2NPC1RAB9A
SCHEMBL17104750 0.80 APP (0.58) APPMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL20593905 0.80 GRM5 (0.52) APPMAPTNPC1RAB9AGRM5
SCHEMBL10300049 0.80 APP (0.63) APPMAPTKCNH2NPC1RAB9A
SCHEMBL3796509 0.79 APP (0.80) APPMAPTKCNH2NPC1RAB9A
SCHEMBL22504232 0.79 MAPT (0.54) APPMAPTNPC1GRM5FFAR1
SCHEMBL10491818 0.78 APP (0.43) APPMAPTKCNH2NPC1RAB9A
SCHEMBL952971 0.78 APP (0.60) APPMAPTKCNH2NPC1RAB9A
SCHEMBL16796016 0.77 AKR1C3 (0.44) APPMAPTNPC1RAB9AFFAR1
SCHEMBL8424794 0.76 APP (0.57) APPMAPTNPC1RAB9AGRM5

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-1043299-B1 Liquid crystalline compound, liquid crystal composition comprising the liquid crystalline compound, and liquid crystal display device using the liquid crystal composition CHISSO CORP (JP) 2008-10-15 EP disclosed