SCHEMBL7068778

SCHEMBL7068778

CC(C)(CNC(=O)Nc1ccccc1N1CCCCC1)CC(=O)N(CC(=O)NO)CC1CCCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.46
MEN1 O00255 4/20 0.46
ATM Q13315 4/20 0.46
PLA2G1B P04054 1/20 0.46
ATG4B Q9Y4P1 1/20 0.46
NPSR1 Q6W5P4 6/20 0.45
MAPT P10636 4/20 0.45
L3MBTL1 Q9Y468 4/20 0.45
KDM4E B2RXH2 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
XBP1 P17861 1/20 0.42
CYP2C19 P33261 1/20 0.42
ALDH1A1 P00352 2/20 0.41
MAPK1 P28482 3/20 0.41
ALOX15 P16050 2/20 0.41
TSHR P16473 2/20 0.41
TP53 P04637 1/20 0.41
HSD17B10 Q99714 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
SCHEMBL7065876 0.99 KMT2A (0.44) KMT2AMEN1ATMPLA2G1BATG4B
SCHEMBL7068433 0.89 POLB (0.38) KMT2AMEN1ATMPLA2G1BATG4B
SCHEMBL7064914 0.88 POLB (0.39) MAPTL3MBTL1ALDH1A1MAPK1TP53
SCHEMBL6825522 0.86 POLB (0.39) MAPTTP53LMNAPOLBKCNQ2
SCHEMBL6822311 0.85 NPC1 (0.40) CYP2C19POLB
SCHEMBL6822302 0.85 KMT2A (0.40) KMT2AMEN1NPSR1ALDH1A1SMN1; SMN2
SCHEMBL6825944 0.85 KMT2A (0.43) KMT2AMEN1TSHRGAAPOLB
SCHEMBL6825617 0.84 NPC1 (0.42) MAPTKDM4EALDH1A1TSHRHSD17B10
SCHEMBL6822317 0.84 NPY2R (0.41) KMT2AMEN1MAPTL3MBTL1
SCHEMBL6822411 0.84 TDP1 (0.45) KMT2AMEN1L3MBTL1ALDH1A1ALOX15

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