SCHEMBL22216435

SCHEMBL22216435

CC/C(=C\F)Cn1cc(C(=O)NC)cn1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.39
LMNA P02545 3/20 0.39
MAPT P10636 3/20 0.39
CYP2C19 P33261 1/20 0.39
GFER P55789 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HPGD P15428 2/20 0.38
KMT2A Q03164 1/20 0.37
ACHE P22303 2/20 0.36
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
POLB P06746 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
CCNC P24863 3/20 0.34
CDK8 P49336 3/20 0.34
KLKB1 P03952 1/20 0.33
PLK1 P53350 1/20 0.33
PDK2 Q15119 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL22216455 0.88 LMNA (0.42) L3MBTL1LMNAMAPTCYP2C19GFER
SCHEMBL22216335 0.88 KLKB1 (0.37) L3MBTL1LMNAMAPTCYP2C19GFER
SCHEMBL22216190 0.87 AOC3 (0.42) L3MBTL1LMNAMAPTCYP2C19GFER
SCHEMBL22216338 0.85 ACHE (0.37) L3MBTL1LMNAMAPTCYP2C19GFER
SCHEMBL22207006 0.85 L3MBTL1 (0.36) L3MBTL1LMNAMAPTCYP2C19GFER
SCHEMBL22207003 0.85 L3MBTL1 (0.36) L3MBTL1LMNAMAPTCYP2C19GFER
SCHEMBL22216433 0.85 L3MBTL1 (0.56) L3MBTL1LMNAMAPTCYP2C19GFER
SCHEMBL23920716 0.84 HPGD (0.40) L3MBTL1LMNAMAPTCYP2C19GFER
SCHEMBL28432378 0.83 KLKB1 (0.34) L3MBTL1LMNAMAPTCYP2C19GFER
SCHEMBL28432376 0.83 KLKB1 (0.34) L3MBTL1LMNAMAPTCYP2C19GFER

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-2020143763-A1 HALOALLYLAMINE COMPOUNDS AND APPLICATION THEREOF 南京药捷安康生物科技有限公司 2020-07-16 WO disclosed