SCHEMBL23907233

SCHEMBL23907233

NCC(=CF)Cn1cc(C(=O)O)cn1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.49
PLA2G4A P47712 1/20 0.37
ALKBH2 Q6NS38 2/20 0.36
HPGDS O60760 1/20 0.36
ACHE P22303 2/20 0.35
HSD17B10 Q99714 1/20 0.35
AOC3 Q16853 6/20 0.34
EGLN1 Q9GZT9 4/20 0.33
AOC2 O75106 2/20 0.33
MAOA P21397 2/20 0.33
MAOB P27338 2/20 0.33
DAO P14920 1/20 0.33
CYP4F2 P78329 1/20 0.32
CYP4A11 Q02928 1/20 0.32

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
SCHEMBL23907231 1.00 L3MBTL1 (0.49) L3MBTL1PLA2G4AALKBH2HPGDSACHE
SCHEMBL23920660 0.87 L3MBTL1 (0.38) L3MBTL1ACHEAOC3MAOB
SCHEMBL22216433 0.85 L3MBTL1 (0.56) L3MBTL1PLA2G4AALKBH2HPGDSACHE
SCHEMBL22216184 0.85 L3MBTL1 (0.36) L3MBTL1ACHEAOC3AOC2MAOB
SCHEMBL22206967 0.83 GRM2 (0.38) L3MBTL1ACHEAOC3MAOB
SCHEMBL22216335 0.83 KLKB1 (0.37) L3MBTL1ACHEAOC3MAOB
SCHEMBL22206966 0.83 GRM2 (0.38) L3MBTL1ACHEAOC3MAOB
SCHEMBL22216339 0.81 KLKB1 (0.41) L3MBTL1
SCHEMBL22216213 0.81 KLKB1 (0.43) AOC3AOC2MAOB
SCHEMBL22216259 0.81 LMNA (0.45) EGLN1

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-3892621-A1 HALOALLYLAMINE COMPOUNDS AND APPLICATION THEREOF Nanjing Transthera Biosciences Co., Ltd. (CN) 2021-10-13 EP disclosed