SCHEMBL6822372

SCHEMBL6822372

CC(CNC(=O)Nc1cc(F)ccc1F)CC(=O)N(CC(=O)NO)CC1CCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MAPT P10636 3/20 0.36
POLB P06746 3/20 0.36
PKM P14618 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
LMNA P02545 1/20 0.35
CCR3 P51677 3/20 0.34
HTT P42858 1/20 0.34
SHMT2 P34897 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
SLC6A9 P48067 1/20 0.33
USP30 Q70CQ3 1/20 0.33
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP9 P14780 1/20 0.33
MMP8 P22894 1/20 0.33
MMP13 P45452 1/20 0.33
OPRL1 P41146 1/20 0.33
CASR P41180 1/20 0.33

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
SCHEMBL6825840 0.98 MEN1 (0.38) MEN1KMT2AMAPTPOLBPKM
SCHEMBL6822128 0.98 MEN1 (0.38) MEN1KMT2AMAPTPOLBPKM
SCHEMBL6827730 0.93 RAB9A (0.40) KMT2APOLBPKMLMNAMMP1
SCHEMBL6825602 0.90 MEN1 (0.37) MEN1KMT2AMAPTPOLBPKM
SCHEMBL6825571 0.90 MEN1 (0.37) MEN1KMT2AMAPTPOLBPKM
SCHEMBL6824635 0.89 LMNA (0.48) MEN1KMT2ASMN1; SMN2LMNAALDH1A1
SCHEMBL6825363 0.87 POLB (0.39) MAPTPOLBLMNATDP1L3MBTL1
SCHEMBL6822375 0.87 POLB (0.39) MAPTPOLBLMNATDP1L3MBTL1
SCHEMBL6825381 0.84 TRPV1 (0.40) MEN1KMT2AMAPTPOLBSMN1; SMN2
SCHEMBL6825333 0.84 RAB9A (0.41) KMT2AMAPTSMN1; SMN2LMNAHTT

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