SCHEMBL8398993

SCHEMBL8398993

CCN(C(=O)C=NOC)c1ccccc1COc1ccc(F)cc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.41
MEN1 O00255 6/20 0.41
MAOB P27338 5/20 0.39
POLB P06746 1/20 0.39
ALDH1A1 P00352 2/20 0.38
GAA P10253 1/20 0.38
FFAR1 O14842 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
PARP14 Q460N5 2/20 0.37
PARP10 Q53GL7 2/20 0.37
LMNA P02545 2/20 0.37
PARP15 Q460N3 1/20 0.37
KDM4E B2RXH2 1/20 0.37
GSK3B P49841 1/20 0.35
BACE1 P56817 1/20 0.35
MAPK1 P28482 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SCN9A Q15858 1/20 0.35

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
SCHEMBL8399105 0.90 FFAR1 (0.39) KMT2AMEN1MAOBALDH1A1GAA
SCHEMBL8399090 0.89 HIF1A (0.43) KMT2AMEN1MAOBPARP10PARP15
SCHEMBL8398891 0.89 FFAR1 (0.41) MAOBFFAR1FFAR4
SCHEMBL8399129 0.87 LMNA (0.41) KMT2AMEN1MAOBALDH1A1GAA
SCHEMBL8399075 0.87 KMT2A (0.42) KMT2AMEN1MAOBPOLBALDH1A1
SCHEMBL8398724 0.86 NISCH (0.38) KMT2AMEN1POLBALDH1A1GAA
SCHEMBL8396046 0.86 MAOB (0.40) KMT2AMEN1MAOBPARP14PARP10
SCHEMBL8399054 0.85 MEN1 (0.43) KMT2AMEN1POLBALDH1A1GAA
SCHEMBL8400198 0.85 TDP1 (0.40) KMT2AMEN1MAOBPOLBLMNA
SCHEMBL8400207 0.85 CYP3A4 (0.38) KMT2AMEN1MAOBPOLBALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0644183-B1 Process of producing N-alkylacetamides SHIONOGI & CO (JP) 1999-06-02 EP disclosed
US-5498792-A Process of producing N-alkylacetamides SHIONOGI & CO., LTD. (JP) 1996-03-12 US disclosed
EP-0644183-A2 Process of producing N-alkylacetamides SHIONOGI & CO., LTD. (JP) 1995-03-22 EP disclosed