SCHEMBL6825935

SCHEMBL6825935

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

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CCR3 P51677 4/20 0.39
USP30 Q70CQ3 1/20 0.39
EPHX2 P34913 7/20 0.39
HSD11B1 P28845 1/20 0.39
MTOR P42345 2/20 0.38
NAMPT P43490 1/20 0.37

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
SCHEMBL6825458 0.91 KLK7 (0.39) MEN1KMT2ACCR3EPHX2
SCHEMBL6827708 0.89 TDP1 (0.47) EPHX2
SCHEMBL6827557 0.86 EPHX1 (0.41) MEN1KMT2ACCR3EPHX2NAMPT
SCHEMBL6822147 0.86 SMN1; SMN2 (0.41) MEN1KMT2ACCR3EPHX2NAMPT
SCHEMBL6825204 0.86 MMP1 (0.44) MEN1KMT2AEPHX2
SCHEMBL6822393 0.85 SLC6A9 (0.42)
SCHEMBL6825283 0.84 KMT2A (0.42) MEN1KMT2AEPHX2MTOR
SCHEMBL6825042 0.83 MEN1 (0.43) MEN1KMT2AEPHX2
SCHEMBL6827891 0.82 NPC1 (0.44) MEN1KMT2AEPHX2
SCHEMBL6822302 0.82 KMT2A (0.40) MEN1KMT2AEPHX2

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