SCHEMBL25610089

SCHEMBL25610089

COCCCNC(=O)/C(C#N)=C/c1ccc(-c2ccc3cc(N4CCOCC4)ccc3c2)n1C

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
APP P05067 3/20 0.50
ALDH1A1 P00352 9/20 0.49
KMT2A Q03164 7/20 0.49
MEN1 O00255 6/20 0.49
KDM4E B2RXH2 5/20 0.49
HPGD P15428 4/20 0.49
GAA P10253 3/20 0.49
MAPT P10636 2/20 0.49
USP2 O75604 1/20 0.49
HTT P42858 1/20 0.49
RXFP1 Q9HBX9 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.43
ATM Q13315 1/20 0.42
POLB P06746 1/20 0.40
MCL1 Q07820 1/20 0.40
CTDSP1 Q9GZU7 1/20 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
SCHEMBL18220192 0.95 KMT2A (0.55) APPALDH1A1KMT2AMEN1KDM4E
SCHEMBL21226359 0.89 APP (0.46) APPALDH1A1KMT2AMEN1KDM4E
SCHEMBL23134972 0.89 APP (0.46) APPALDH1A1KMT2AMEN1KDM4E
SCHEMBL18220188 0.87 APP (0.51) APPALDH1A1KMT2AMEN1KDM4E
SCHEMBL18220184 0.87 APP (0.50) APPALDH1A1KMT2AMEN1KDM4E
SCHEMBL25610090 0.86 APP (0.46) APPALDH1A1KMT2AMEN1KDM4E
SCHEMBL17099866 0.85 APP (0.55) APPALDH1A1KMT2AMEN1KDM4E
SCHEMBL17099870 0.85 APP (0.55) APPALDH1A1KMT2AMEN1KDM4E
SCHEMBL17099878 0.85 APP (0.55) APPALDH1A1KMT2AMEN1KDM4E
SCHEMBL24075821 0.85 APP (0.55) APPALDH1A1KMT2AMEN1KDM4E

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