SCHEMBL2665739

SCHEMBL2665739

O=C(O)CCNC(=O)c1ccc(CNCc2ccccc2Cl)cc1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.57
KDM4E B2RXH2 1/20 0.57
SMN1; SMN2 Q16637 4/20 0.56
HIF1A Q16665 1/20 0.55
KMT2A Q03164 3/20 0.55
NPSR1 Q6W5P4 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
GCG P01275 1/20 0.51
MEN1 O00255 2/20 0.50
FFAR1 O14842 1/20 0.50
MAPK1 P28482 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
SNCA P37840 1/20 0.48
HPGD P15428 1/20 0.48
TMEM97 Q5BJF2 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47

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
SCHEMBL9071165 0.82 HDAC8 (0.58) ALDH1A1KDM4ESMN1; SMN2KMT2AMEN1
SCHEMBL5940285 0.81 FOLH1 (0.58) ALDH1A1KDM4ESMN1; SMN2KMT2AL3MBTL1
SCHEMBL28654120 0.81 SMN1; SMN2 (0.68) ALDH1A1SMN1; SMN2HIF1AKMT2AL3MBTL1
SCHEMBL2665822 0.78 NPC1 (0.62) SMN1; SMN2KMT2AMEN1HDAC8HDAC6
SCHEMBL28665708 0.78 SMN1; SMN2 (0.64) ALDH1A1SMN1; SMN2HIF1AKMT2ANPSR1
SCHEMBL2665809 0.78 ALDH1A1 (0.51) ALDH1A1KDM4ESMN1; SMN2KMT2ANPSR1
SCHEMBL9072937 0.77 CA1 (0.52) L3MBTL1MAPK1HDAC8HDAC6LMNA
SCHEMBL2663201 0.76 GCGR (0.53) SMN1; SMN2HIF1AKMT2AL3MBTL1GCG
SCHEMBL9071169 0.76 PPARG (0.47) L3MBTL1MAPK1LMNA
SCHEMBL15637983 0.75 SMN1; SMN2 (0.63) ALDH1A1KDM4ESMN1; SMN2HIF1AKMT2A

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
WO-2004002480-A1 NOVEL GLUCAGON ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK A/S (DK) 2004-01-08 WO disclosed