SCHEMBL28016342

SCHEMBL28016342

FC(F)F.N#CCN1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.46
MAPT P10636 1/20 0.45
POLB P06746 1/20 0.38
HRH3 Q9Y5N1 4/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
HTT P42858 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CHRM5 P08912 3/20 0.35
CHRM2 P08172 2/20 0.35
CHRM4 P08173 2/20 0.35
CHRM1 P11229 2/20 0.35
CHRM3 P20309 2/20 0.35
ADRA2C P18825 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34

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
SCHEMBL154200 0.90 LMNA (0.55) LMNAMAPTPOLBHRH3MEN1
SCHEMBL64903 0.90
SCHEMBL18228041 0.90
SCHEMBL64890 0.87
SCHEMBL18000680 0.87
SCHEMBL27529972 0.83 LMNA (0.48) LMNAMAPTPOLBHRH3MEN1
Ethane SCHEMBL23930405 0.82 LMNA (0.52) LMNAMAPTPOLBHRH3MEN1
SCHEMBL16097879 0.82
Acetonitrile SCHEMBL15093668 0.80 LMNA (0.50) LMNAMAPTPOLBHRH3MEN1
SCHEMBL22691920 0.79 POLB (0.56) LMNAMAPTPOLBHRH3MEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104684893-B Asymmetric auxiliary group 日本波涛生命科学公司 2016-10-26 CN disclosed
CN-104661664-A Chiral control WAVE LIFE SCIENCES PTY LTD 2015-05-27 CN disclosed