SCHEMBL6825274

SCHEMBL6825274

COc1cc(Cl)c(C)cc1NC(=O)N[C@H](C(=O)N(CC(=O)NO)CC1CCC1)C(C)(C)C

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.39
LMNA P02545 3/20 0.38
ALDH1A1 P00352 5/20 0.38
MAPT P10636 5/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
GAA P10253 1/20 0.38
HTT P42858 1/20 0.38
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
POLB P06746 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
MAPK1 P28482 1/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL6922479 0.98 SMN1; SMN2 (0.39) SMN1; SMN2LMNAALDH1A1MAPTL3MBTL1
SCHEMBL6825483 0.91 SMN1; SMN2 (0.38) SMN1; SMN2LMNAALDH1A1MAPTL3MBTL1
SCHEMBL6825621 0.89 LMNA (0.41) SMN1; SMN2LMNAALDH1A1MAPTL3MBTL1
SCHEMBL6822139 0.88 KMT2A (0.51) LMNAALDH1A1MAPTNPSR1GAA
SCHEMBL6824835 0.87 LMNA (0.41) SMN1; SMN2LMNAALDH1A1MAPTL3MBTL1
SCHEMBL6822293 0.87 LMNA (0.41) SMN1; SMN2LMNAALDH1A1MAPTGAA
SCHEMBL6825396 0.87 KMT2A (0.51) LMNAALDH1A1MAPTNPSR1GAA
SCHEMBL6825934 0.86 KMT2A (0.44) SMN1; SMN2ALDH1A1MAPTNPSR1GAA
SCHEMBL6825108 0.85 NPC1 (0.47) ALDH1A1MAPTNPC1RAB9AMEN1
SCHEMBL6825415 0.85 LMNA (0.41) SMN1; SMN2LMNAALDH1A1MAPTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004087643-A1 DEFORMYLASE INHIBITOR, PROCESS FOR PREPARING THE SAME, AND ANTIBACTERIAL COMPOSITION COMPRISING THE SAME PROMEDITECH INC. (KR) 2004-10-14 WO claimed
WO-2004087643-A1 DEFORMYLASE INHIBITOR, PROCESS FOR PREPARING THE SAME, AND ANTIBACTERIAL COMPOSITION COMPRISING THE SAME PROMEDITECH INC. (KR) 2004-10-14 WO disclosed