SCHEMBL25610045

SCHEMBL25610045

CCCN(CCC)c1ccc2cc(-c3ccc(/C=C(\C#N)C(=O)NCCCOC)n3C)ccc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
KDM4E B2RXH2 5/20 0.41
HPGD P15428 3/20 0.41
POLB P06746 2/20 0.41
MCL1 Q07820 1/20 0.41
CTDSP1 Q9GZU7 1/20 0.41
LMNA P02545 5/20 0.40
KMT2A Q03164 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MEN1 O00255 2/20 0.40
MITF O75030 1/20 0.40
MAPK1 P28482 1/20 0.40
MDM2 Q00987 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 2/20 0.39
RAB9A P51151 1/20 0.39
ATM Q13315 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
RXFP1 Q9HBX9 1/20 0.38

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
SCHEMBL18220179 0.95 LMNA (0.46) ALDH1A1L3MBTL1KDM4EHPGDPOLB
SCHEMBL24068152 0.90 ALDH1A1 (0.41) ALDH1A1L3MBTL1KDM4EHPGDPOLB
SCHEMBL18220185 0.89 LMNA (0.47) ALDH1A1L3MBTL1KDM4EHPGDPOLB
SCHEMBL25610046 0.86 SLC16A3 (0.33) ALDH1A1L3MBTL1HPGDKMT2AMEN1
SCHEMBL18220194 0.85 ALDH1A1 (0.48) ALDH1A1L3MBTL1KDM4EHPGDPOLB
SCHEMBL18220212 0.85 DNM1 (0.38) ALDH1A1L3MBTL1KDM4ELMNAKMT2A
SCHEMBL17120800 0.83 DNM1 (0.37) ALDH1A1L3MBTL1KDM4ELMNAKMT2A
SCHEMBL18220181 0.82 SLC16A3 (0.33) ALDH1A1HPGDLMNAKMT2ASMN1; SMN2
SCHEMBL17120860 0.82 MEN1 (0.45) ALDH1A1KDM4EPOLBLMNAKMT2A
SCHEMBL25609229 0.82 LMNA (0.49) ALDH1A1L3MBTL1KDM4EHPGDPOLB

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