SCHEMBL7064641

SCHEMBL7064641

CC(C)(CNC(=O)Nc1ccc(N2CCCC2)c(F)c1)CC(=O)N(CC(=O)NO)CC1CCCC1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPY2R P49146 8/20 0.41
ALOX5 P09917 1/20 0.37
EPHX2 P34913 1/20 0.37
KCNT1 Q5JUK3 1/20 0.37
S1PR1 P21453 1/20 0.36
MTTP P55157 1/20 0.36
MAPT P10636 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PRNP P04156 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
SCHEMBL6822317 0.99 NPY2R (0.41) NPY2RALOX5EPHX2KCNT1S1PR1
SCHEMBL6825428 0.94 S1PR1 (0.43) NPY2RS1PR1MAPTKMT2AL3MBTL1
SCHEMBL6822147 0.89 SMN1; SMN2 (0.41) EPHX2MEN1KMT2AL3MBTL1NPC1
SCHEMBL7064914 0.87 POLB (0.39) ALOX5EPHX2KCNT1MAPTL3MBTL1
SCHEMBL7068433 0.87 POLB (0.38) MAPTMEN1KMT2AL3MBTL1
SCHEMBL6825522 0.86 POLB (0.39) ALOX5EPHX2KCNT1MAPT
SCHEMBL7068596 0.85 ALDH1A1 (0.47) MAPTMEN1KMT2AL3MBTL1KDM4E
SCHEMBL6825458 0.85 KLK7 (0.39) ALOX5EPHX2KCNT1MAPTMEN1
SCHEMBL7065876 0.84 KMT2A (0.44) MAPTMEN1KMT2AL3MBTL1KDM4E
SCHEMBL6825283 0.83 KMT2A (0.42) EPHX2MEN1KMT2ANPC1RAB9A

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