SCHEMBL6825489

SCHEMBL6825489

COc1cc(Cl)c(C)cc1NC(=O)NCC(C)(C)CC(=O)N(CCC1CCCC1)CC(=O)NO

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 4/20 0.37
MAPT P10636 4/20 0.37
LMNA P02545 4/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
GAA P10253 2/20 0.37
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MMP3 P08254 1/20 0.37
TSHR P16473 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
POLB P06746 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL7066677 0.93 SMN1; SMN2 (0.38) SMN1; SMN2ALDH1A1MAPTLMNAL3MBTL1
SCHEMBL6825607 0.91 SMN1; SMN2 (0.38) SMN1; SMN2ALDH1A1MAPTLMNAL3MBTL1
SCHEMBL6825496 0.89 ALDH1A1 (0.49) SMN1; SMN2ALDH1A1MAPTLMNAGAA
SCHEMBL6825420 0.87 LMNA (0.40) SMN1; SMN2ALDH1A1MAPTLMNAL3MBTL1
SCHEMBL6822304 0.85 TDP1 (0.46) SMN1; SMN2LMNAL3MBTL1MMP3TSHR
SCHEMBL6824961 0.85 ALDH1A1 (0.39) SMN1; SMN2ALDH1A1MAPTLMNAL3MBTL1
SCHEMBL6825884 0.85 ALDH1A1 (0.39) SMN1; SMN2ALDH1A1MAPTLMNAL3MBTL1
SCHEMBL6825369 0.83 TP53 (0.38) SMN1; SMN2ALDH1A1MAPTLMNAGAA
SCHEMBL6825899 0.83 RAB9A (0.42) SMN1; SMN2ALDH1A1MAPTLMNAL3MBTL1
SCHEMBL6825483 0.81 SMN1; SMN2 (0.38) SMN1; SMN2ALDH1A1MAPTLMNAL3MBTL1

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