SCHEMBL6825347

SCHEMBL6825347

CC(C)CCN(CC(=O)NO)C(=O)CC(C)(C)CNC(=O)Nc1cccc2cccnc12

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 8/20 0.49
TDP1 Q9NUW8 2/20 0.43
POLB P06746 2/20 0.43
MAPT P10636 4/20 0.40
LMNA P02545 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HDAC6 Q9UBN7 2/20 0.39
HDAC3 O15379 1/20 0.39
HDAC2 Q92769 1/20 0.39
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
TP53 P04637 2/20 0.39
KDR P35968 1/20 0.39
MAPK1 P28482 1/20 0.38
MECP2 P51608 1/20 0.38

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
SCHEMBL6825391 0.84 HDAC1 (0.50) HDAC1TDP1POLBMAPTLMNA
SCHEMBL7065659 0.83 HDAC1 (0.47) HDAC1TDP1POLBMAPTLMNA
SCHEMBL6825098 0.83 HDAC1 (0.47) HDAC1TDP1POLBMAPTLMNA
SCHEMBL6825337 0.81 HDAC1 (0.48) HDAC1TDP1POLBMAPTLMNA
SCHEMBL6822424 0.81 ANPEP (0.45) HDAC1MAPTLMNAMEN1KMT2A
SCHEMBL6825378 0.79 HDAC1 (0.49) HDAC1TDP1POLBMAPTLMNA
SCHEMBL6822076 0.78 MEN1 (0.45) HDAC1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL6825491 0.77 ITGB1 (0.40) HDAC1POLBMAPTNPSR1MEN1
SCHEMBL6822427 0.77 TRPV1 (0.43) POLBMAPTLMNANPSR1MEN1
SCHEMBL6822346 0.77 RAB9A (0.39) POLBMAPTLMNAKMT2ASMN1; SMN2

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 disclosed