SCHEMBL25610077

SCHEMBL25610077

Cn1c(/C=C(\C#N)C(=O)NCCO)ccc1-c1ccc2cc(N3CCCCC3)ccc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.42
KMT2A Q03164 10/20 0.39
MEN1 O00255 8/20 0.39
ALDH1A1 P00352 5/20 0.39
MAPT P10636 4/20 0.39
NPC1 O15118 3/20 0.39
MAPK1 P28482 3/20 0.39
RAB9A P51151 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
SLC16A3 O15427 2/20 0.38
SLC16A1 P53985 2/20 0.38
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
RXFP1 Q9HBX9 1/20 0.37
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL18220184 0.91 APP (0.50) APPKMT2AMEN1ALDH1A1MAPT
SCHEMBL24068143 0.89 APP (0.45) APPKMT2AMEN1ALDH1A1MAPT
SCHEMBL17120809 0.88 APP (0.40) APPKMT2AMEN1ALDH1A1MAPT
SCHEMBL23134975 0.88 APP (0.42) APPKMT2AMEN1ALDH1A1MAPT
SCHEMBL17099878 0.88 APP (0.55) APPKMT2AMEN1ALDH1A1MAPT
SCHEMBL24075821 0.88 APP (0.55) APPKMT2AMEN1ALDH1A1MAPT
SCHEMBL17099866 0.88 APP (0.55) APPKMT2AMEN1ALDH1A1MAPT
SCHEMBL17099870 0.88 APP (0.55) APPKMT2AMEN1ALDH1A1MAPT
SCHEMBL18220208 0.87 APP (0.40) APPKMT2AMEN1ALDH1A1MAPT
SCHEMBL23134977 0.85 ALDH1A1 (0.48) APPKMT2AMEN1ALDH1A1MAPT

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-3119761-B1 AMYLOID TARGETING AGENTS AND METHODS OF USING THE SAME AMYDIS DIAGNOSTICS INC (US) 2023-06-07 EP disclosed