SCHEMBL6825337

SCHEMBL6825337

CC(C)CCN(CC(=O)NO)C(=O)[C@@H](NC(=O)Nc1cccc2cccnc12)C(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 7/20 0.48
TDP1 Q9NUW8 2/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 2/20 0.43
LMNA P02545 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ADAM17 P78536 6/20 0.42
MMP1 P03956 4/20 0.42
KDR P35968 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MMP8 P22894 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL6825378 0.89 HDAC1 (0.49) HDAC1TDP1POLBMAPTLMNA
SCHEMBL6825780 0.86 HDAC1 (0.45) HDAC1TDP1POLBMAPTLMNA
SCHEMBL6923084 0.84 HDAC1 (0.46) HDAC1TDP1POLBMAPTLMNA
SCHEMBL6825085 0.84 HDAC1 (0.46) HDAC1TDP1POLBMAPTLMNA
SCHEMBL6825347 0.81 HDAC1 (0.49) HDAC1TDP1POLBMAPTLMNA
SCHEMBL6822423 0.80 ANPEP (0.52) HDAC1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL6825391 0.79 HDAC1 (0.50) HDAC1TDP1POLBMAPTLMNA
SCHEMBL6827601 0.78 HDAC1 (0.45) HDAC1TDP1POLBMAPTLMNA
SCHEMBL6822072 0.77 MEN1 (0.44) HDAC1MAPTMMP1MEN1KMT2A
SCHEMBL6825482 0.77 MEN1 (0.39) HDAC1POLBMAPTLMNAMMP1

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