SCHEMBL21780053

SCHEMBL21780053

CC(C)(C)OC(=O)NC/C(=C/F)COc1ccc(C(=O)Nc2ccc(F)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.48
MAOB P27338 2/20 0.48
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
LMNA P02545 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
STAT5A P42229 1/20 0.44
STAT5B P51692 1/20 0.44
NPC1 O15118 4/20 0.44
RAB9A P51151 2/20 0.44
ATM Q13315 1/20 0.44
CXCR1 P25024 3/20 0.43
CXCR2 P25025 3/20 0.43
CTNNB1 P35222 1/20 0.43
TCF7L2 Q9NQB0 1/20 0.43
POLB P06746 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
AOC2 O75106 1/20 0.42
DAO P14920 1/20 0.42
MAOA P21397 1/20 0.42

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
SCHEMBL21780050 0.91 AOC3 (0.49) AOC3MAOBKMT2AMEN1RXFP1
SCHEMBL21768103 0.85 KMT2A (0.53) AOC3MAOBKMT2AMEN1LMNA
SCHEMBL21768101 0.85 KMT2A (0.53) AOC3MAOBKMT2AMEN1LMNA
SCHEMBL21768044 0.84 ALDH1A1 (0.49) AOC3MAOBKMT2AMEN1LMNA
SCHEMBL21768045 0.84 ALDH1A1 (0.49) AOC3MAOBKMT2AMEN1LMNA
SCHEMBL23718801 0.83 KMT2A (0.43) AOC3MAOBKMT2AMEN1POLB
SCHEMBL21768043 0.83 AOC3 (0.50) AOC3MAOBMAPT
SCHEMBL21780054 0.83 AOC3 (0.50) AOC3MAOBMAPT
SCHEMBL23718599 0.83 AOC3 (0.50) AOC3MAOBMAPT
SCHEMBL23718765 0.82 MAPKAPK2 (0.43) AOC3MAOBKMT2AMEN1LMNA

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-3617186-A1 FLUOROALLYLAMINE DERIVATIVE AND USE THEREOF Sichuan Kelun-Biotech Biopharmaceutical Co., Ltd. (CN) 2020-03-04 EP disclosed