SCHEMBL7068433

SCHEMBL7068433

CC(C)(CNC(=O)Nc1cc(F)ccc1N1CCCCC1)CC(=O)N(CC(=O)NO)CC1CCCC1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.38
LMNA P02545 4/20 0.37
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
CDK4 P11802 1/20 0.35
CDK9 P50750 1/20 0.35
TP53 P04637 2/20 0.35
ALDH1A1 P00352 1/20 0.35
THRB P10828 1/20 0.35
HPGD P15428 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
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
KCNQ2 O43526 1/20 0.34
ERAP1 Q9NZ08 1/20 0.34
BTK Q06187 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
SCHEMBL7064914 0.99 POLB (0.39) POLBLMNAMAPTMAPK1CDK4
SCHEMBL6825522 0.98 POLB (0.39) POLBLMNAMAPTCDK4CDK9
SCHEMBL6825424 0.92 POLB (0.40) POLBLMNAMAPTMAPK1TP53
SCHEMBL7068778 0.89 KMT2A (0.46) POLBLMNAMAPTMAPK1TP53
SCHEMBL7065876 0.88 KMT2A (0.44) POLBLMNAMAPTMAPK1TP53
SCHEMBL6822389 0.88 MEN1 (0.38) POLBMAPTALDH1A1L3MBTL1MEN1
SCHEMBL6822317 0.88 NPY2R (0.41) MAPTL3MBTL1MEN1KMT2A
SCHEMBL7064641 0.87 NPY2R (0.41) MAPTL3MBTL1MEN1KMT2A
SCHEMBL6825363 0.83 POLB (0.39) POLBLMNAMAPTMAPK1TP53
SCHEMBL6822375 0.83 POLB (0.39) POLBLMNAMAPTMAPK1TP53

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