SCHEMBL6922708

SCHEMBL6922708

CC(C)[C@H](NC(=O)Nc1cc(F)ccc1N1CCCC1)C(=O)N(CC(=O)NO)CC1CCCC1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.36
KCNQ2 O43526 4/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
LMNA P02545 2/20 0.35
BTK Q06187 1/20 0.35
CDK4 P11802 1/20 0.35
CDK9 P50750 1/20 0.35
TP53 P04637 1/20 0.34
NPY2R P49146 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MEN1 O00255 1/20 0.34
PLA2G1B P04054 1/20 0.34
KMT2A Q03164 1/20 0.34
ATM Q13315 1/20 0.34
ATG4B Q9Y4P1 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
SCHEMBL6920266 0.98 TDP1 (0.36) TDP1KCNQ2MAPTLMNABTK
SCHEMBL6922960 0.92 MAPT (0.36) TDP1KCNQ2MAPTMAPK1LMNA
SCHEMBL6923744 0.90 MAPT (0.37) KCNQ2MAPTMAPK1LMNABTK
SCHEMBL6822378 0.89 MAPT (0.37) KCNQ2MAPTMAPK1LMNABTK
SCHEMBL6919406 0.88 HDAC1 (0.38) TDP1KCNQ2MAPK1LMNABTK
SCHEMBL6822126 0.88 POLB (0.37) MAPTL3MBTL1SMN1; SMN2MEN1KMT2A
SCHEMBL6825319 0.86 PKM (0.44) L3MBTL1MEN1KMT2A
SCHEMBL6827598 0.86 PKM (0.37) MAPTL3MBTL1SMN1; SMN2MEN1KMT2A
SCHEMBL6923411 0.84 ALDH1A1 (0.42) MAPTLMNAL3MBTL1SMN1; SMN2KMT2A
SCHEMBL6920142 0.83 MAPT (0.36) KCNQ2MAPTMAPK1LMNABTK

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