SCHEMBL6923744

SCHEMBL6923744

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

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.37
KCNQ2 O43526 4/20 0.35
MAPK1 P28482 1/20 0.35
LMNA P02545 2/20 0.35
POLB P06746 1/20 0.35
BTK Q06187 1/20 0.35
CDK4 P11802 1/20 0.35
CDK9 P50750 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
ALDH1A1 P00352 1/20 0.34
THRB P10828 1/20 0.34
HPGD P15428 1/20 0.34
TP53 P04637 1/20 0.34
NPY2R P49146 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
SCHEMBL6822378 0.98 MAPT (0.37) MAPTKCNQ2MAPK1LMNAPOLB
SCHEMBL6923411 0.94 ALDH1A1 (0.42) MAPTLMNAL3MBTL1ALDH1A1THRB
SCHEMBL6920142 0.93 MAPT (0.36) MAPTKCNQ2MAPK1LMNAPOLB
SCHEMBL6922708 0.90 TDP1 (0.36) MAPTKCNQ2MAPK1LMNABTK
SCHEMBL6822386 0.89 POLB (0.36) MAPTPOLBL3MBTL1ALDH1A1MEN1
SCHEMBL6920266 0.89 TDP1 (0.36) MAPTKCNQ2LMNABTKCDK4
SCHEMBL6921269 0.87 NPY2R (0.46) NPY2R
SCHEMBL6922960 0.84 MAPT (0.36) MAPTKCNQ2MAPK1LMNAPOLB
SCHEMBL6825450 0.83 KLK7 (0.40) MAPTMAPK1LMNAPOLBMEN1
SCHEMBL7064914 0.82 POLB (0.39) MAPTKCNQ2MAPK1LMNAPOLB

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