SCHEMBL6827557

SCHEMBL6827557

CC(C)(CNC(=O)Nc1ccc(C#N)cc1)CC(=O)N(CC(=O)NO)CC1CCCC1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.41
CTSD P07339 1/20 0.36
BACE1 P56817 1/20 0.36
PAX8 Q06710 1/20 0.36
LMNA P02545 1/20 0.36
ROCK2 O75116 2/20 0.36
PKN2 Q16513 1/20 0.36
NAMPT P43490 2/20 0.35
SAE1 Q9UBE0 1/20 0.35
UBA2 Q9UBT2 1/20 0.35
EPHX2 P34913 1/20 0.35
CCR3 P51677 1/20 0.35
IDO1 P14902 1/20 0.35
KMT2A Q03164 2/20 0.35
CNR1 P21554 1/20 0.35
MEN1 O00255 1/20 0.35
TSHR P16473 1/20 0.34
DGAT1 O75907 1/20 0.34

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
SCHEMBL6822406 0.90 KMT2A (0.49) ROCK2CCR3KMT2ATSHR
SCHEMBL6825458 0.88 KLK7 (0.39) EPHX1EPHX2CCR3KMT2AMEN1
SCHEMBL6825935 0.86 MEN1 (0.41) NAMPTEPHX2CCR3KMT2AMEN1
SCHEMBL6825204 0.85 MMP1 (0.44) EPHX1EPHX2KMT2AMEN1
SCHEMBL6827708 0.84 TDP1 (0.47) EPHX1EPHX2
SCHEMBL6822147 0.84 SMN1; SMN2 (0.41) EPHX1NAMPTEPHX2CCR3KMT2A
SCHEMBL6822393 0.83 SLC6A9 (0.42)
SCHEMBL6825042 0.82 MEN1 (0.43) EPHX1EPHX2KMT2AMEN1
SCHEMBL6825283 0.81 KMT2A (0.42) EPHX1EPHX2KMT2AMEN1
SCHEMBL6827891 0.81 NPC1 (0.44) EPHX1EPHX2KMT2AMEN1

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