SCHEMBL7066019

SCHEMBL7066019

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.40
MAPT P10636 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SHMT2 P34897 1/20 0.38
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
HTT P42858 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
POLB P06746 2/20 0.35
CASR P41180 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GRK2 P25098 1/20 0.35
CTDSP1 Q9GZU7 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MMP1 P03956 1/20 0.35
MMP2 P08253 1/20 0.35
MMP9 P14780 1/20 0.35
MMP8 P22894 1/20 0.35
MMP13 P45452 1/20 0.35
KDM4E B2RXH2 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
SCHEMBL6825602 0.86 MEN1 (0.37) LMNAMAPTSMN1; SMN2SHMT2MEN1
SCHEMBL6825571 0.86 MEN1 (0.37) LMNAMAPTSMN1; SMN2SHMT2MEN1
SCHEMBL6822372 0.84 MEN1 (0.38) LMNAMAPTSMN1; SMN2SHMT2MEN1
SCHEMBL6825840 0.84 MEN1 (0.38) LMNAMAPTSMN1; SMN2SHMT2MEN1
SCHEMBL6822128 0.84 MEN1 (0.38) LMNAMAPTSMN1; SMN2SHMT2MEN1
SCHEMBL6825195 0.83 RAB9A (0.40) LMNAMAPTSMN1; SMN2KMT2AHTT
SCHEMBL6825590 0.83 TRPV1 (0.44) LMNAMEN1KMT2APOLBCASR
SCHEMBL6825239 0.81 ANPEP (0.47) MAPTMEN1KMT2APKM
SCHEMBL6825166 0.81 ANPEP (0.45) LMNASMN1; SMN2MEN1KMT2AHTT
SCHEMBL7066016 0.79 MAPT (0.39) MAPTSMN1; SMN2SHMT2MEN1KMT2A

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