SCHEMBL6825522

SCHEMBL6825522

CC(C)(CNC(=O)Nc1cc(F)ccc1N1CCCC1)CC(=O)N(CC(=O)NO)CC1CCC1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.39
LMNA P02545 5/20 0.37
MAPT P10636 3/20 0.36
TP53 P04637 2/20 0.35
KCNQ2 O43526 2/20 0.34
BTK Q06187 1/20 0.34
CDK4 P11802 1/20 0.34
CDK9 P50750 1/20 0.34
ALOX5 P09917 1/20 0.33
EPHX2 P34913 1/20 0.33
KCNT1 Q5JUK3 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
SCHEMBL7064914 0.98 POLB (0.39) POLBLMNAMAPTTP53KCNQ2
SCHEMBL7068433 0.98 POLB (0.38) POLBLMNAMAPTTP53KCNQ2
SCHEMBL6825424 0.91 POLB (0.40) POLBLMNAMAPTTP53
SCHEMBL7065876 0.87 KMT2A (0.44) POLBLMNAMAPTTP53KCNQ2
SCHEMBL6822389 0.87 MEN1 (0.38) POLBMAPT
SCHEMBL7068778 0.86 KMT2A (0.46) POLBLMNAMAPTTP53KCNQ2
SCHEMBL7064641 0.86 NPY2R (0.41) MAPTALOX5EPHX2KCNT1
SCHEMBL6822317 0.85 NPY2R (0.41) MAPTALOX5EPHX2KCNT1
SCHEMBL6825363 0.82 POLB (0.39) POLBLMNAMAPTTP53KCNQ2
SCHEMBL6822375 0.82 POLB (0.39) POLBLMNAMAPTTP53KCNQ2

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