SCHEMBL28243545

SCHEMBL28243545

CCOC(=O)C=Nc1ccc(Br)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.47
KMT2A Q03164 5/20 0.47
MEN1 O00255 4/20 0.47
LMNA P02545 3/20 0.47
NPSR1 Q6W5P4 2/20 0.47
S1PR4 O95977 1/20 0.47
S1PR1 P21453 1/20 0.47
MAPK1 P28482 1/20 0.47
CYP4Z1 Q86W10 4/20 0.46
CES2 O00748 1/20 0.44
ACHE P22303 1/20 0.44
CES1 P23141 1/20 0.44
ALDH1A1 P00352 5/20 0.43
HPGD P15428 2/20 0.43
NPC1 O15118 2/20 0.42
CYP4F11 Q9HBI6 1/20 0.42
CYP4F12 Q9HCS2 1/20 0.42
PTPN1 P18031 1/20 0.41
HTT P42858 2/20 0.40
CYP1A2 P05177 2/20 0.40

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
SCHEMBL28242676 0.86 CYP4Z1 (0.48) MAPTKMT2AMEN1LMNACYP4Z1
SCHEMBL13282569 0.85 CA1 (0.54) MAPTKMT2AMEN1CYP4Z1ALDH1A1
SCHEMBL28242729 0.83 NPC1 (0.58) MAPTKMT2AMEN1CYP4Z1ALDH1A1
SCHEMBL654319 0.83 LMNA (0.50) MAPTKMT2AMEN1LMNACYP4Z1
SCHEMBL654318 0.83 LMNA (0.50) MAPTKMT2AMEN1LMNACYP4Z1
SCHEMBL13302136 0.83 MAPT (0.48) MAPTKMT2AMEN1LMNACYP4Z1
SCHEMBL14040320 0.83 MAPT (0.48) MAPTKMT2AMEN1LMNACYP4Z1
SCHEMBL1259691 0.82 KMT2A (0.52) MAPTKMT2AMEN1LMNANPSR1
SCHEMBL809447 0.82 KMT2A (0.52) MAPTKMT2AMEN1LMNANPSR1
SCHEMBL12528504 0.82 KMT2A (0.52) MAPTKMT2AMEN1LMNANPSR1

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
CN-108586404-A A kind of synthetic method of N- aryl naphtho- furanone imine compound 湖南大学 2018-09-28 CN disclosed