SCHEMBL6825840

SCHEMBL6825840

C[C@H](CNC(=O)Nc1cc(F)ccc1F)CC(=O)N(CC(=O)NO)CC1CCCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
POLB P06746 3/20 0.36
MAPT P10636 3/20 0.36
PKM P14618 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
LMNA P02545 1/20 0.35
OPRL1 P41146 1/20 0.35
CCR3 P51677 3/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
HTT P42858 1/20 0.34
SHMT2 P34897 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
PDF Q9HBH1 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

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
SCHEMBL6822128 1.00 MEN1 (0.38) MEN1KMT2APOLBMAPTPKM
SCHEMBL6822372 0.98 MEN1 (0.38) MEN1KMT2APOLBMAPTPKM
SCHEMBL6825571 0.91 MEN1 (0.37) MEN1KMT2APOLBMAPTPKM
SCHEMBL6825602 0.91 MEN1 (0.37) MEN1KMT2APOLBMAPTPKM
SCHEMBL6827730 0.91 RAB9A (0.40) KMT2APOLBPKMLMNANPC1
SCHEMBL6822375 0.88 POLB (0.39) POLBMAPTLMNATDP1
SCHEMBL6825363 0.88 POLB (0.39) POLBMAPTLMNATDP1
SCHEMBL6824635 0.88 LMNA (0.48) MEN1KMT2ASMN1; SMN2LMNANPC1
SCHEMBL6825616 0.84 LMNA (0.41) MEN1KMT2APOLBMAPTSMN1; SMN2
SCHEMBL6825512 0.84 RAB9A (0.43) KMT2AMAPTSMN1; SMN2LMNANPC1

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