SCHEMBL6826028

SCHEMBL6826028

COc1ccc(Cl)cc1NC(=O)N[C@H](C(=O)N(CCC(C)C)CC(=O)NO)C(C)C

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.53
MEN1 O00255 4/20 0.53
MAPT P10636 4/20 0.53
ALDH1A1 P00352 8/20 0.47
NPSR1 Q6W5P4 3/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
GAA P10253 2/20 0.45
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.42
RECQL P46063 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPC1 O15118 1/20 0.42

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
SCHEMBL6825506 0.89 KMT2A (0.56) KMT2AMEN1MAPTALDH1A1NPSR1
SCHEMBL6825580 0.89 ALDH1A1 (0.43) KMT2AMEN1MAPTALDH1A1NPSR1
SCHEMBL6825190 0.87 TAS1R3 (0.43) MAPTALDH1A1NPSR1L3MBTL1LMNA
SCHEMBL6825230 0.87 ANPEP (0.53) KMT2AMEN1MAPTALDH1A1SMN1; SMN2
SCHEMBL6825434 0.86 LMNA (0.42) KMT2AMEN1MAPTALDH1A1NPSR1
SCHEMBL6822417 0.86 ALDH1A1 (0.51) KMT2AMEN1MAPTALDH1A1NPSR1
SCHEMBL6825842 0.84 ALDH1A1 (0.53) KMT2AMEN1MAPTALDH1A1NPSR1
SCHEMBL6825544 0.84 ALDH1A1 (0.51) KMT2AMEN1MAPTALDH1A1NPSR1
SCHEMBL6825157 0.81 ANPEP (0.52) ALDH1A1NPSR1SMN1; SMN2
SCHEMBL6826030 0.80 ALDH1A1 (0.48) KMT2AMEN1MAPTALDH1A1NPSR1

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