SCHEMBL5014337

SCHEMBL5014337

COC(=O)c1nnc(-c2cc(CO)c(N3CC(C)OC(C)C3)c(F)c2F)s1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 3/20 0.34
RAB9A P51151 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.33
PIK3CA P42336 2/20 0.32
PIK3R1 P27986 1/20 0.32
MTOR P42345 1/20 0.32
LMNA P02545 1/20 0.32
HPGD P15428 2/20 0.32
CYP2C19 P33261 1/20 0.32
HTT P42858 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL5012859 0.85 KDM4E (0.35) KDM4EALDH1A1RAB9AIRAK4LMNA
SCHEMBL5012713 0.83 PIK3R1 (0.35) KDM4EALDH1A1RAB9APIK3CAPIK3R1
SCHEMBL5011051 0.81 KDM4E (0.31) KDM4EALDH1A1RAB9APIK3CAPIK3R1
SCHEMBL5133875 0.81 PIK3R1 (0.34) KDM4EALDH1A1RAB9APIK3CAPIK3R1
SCHEMBL5012716 0.81 PIK3R1 (0.34) KDM4EALDH1A1RAB9APIK3CAPIK3R1
SCHEMBL5015657 0.81 PIK3R1 (0.34) KDM4EALDH1A1RAB9APIK3CAPIK3R1
SCHEMBL5015619 0.81 HRH3 (0.37) KDM4EALDH1A1RAB9APIK3CAPIK3R1
SCHEMBL5012742 0.81 PIK3R1 (0.34) KDM4EALDH1A1RAB9APIK3CAPIK3R1
SCHEMBL5014333 0.81 PIK3R1 (0.36) KDM4EALDH1A1RAB9APIK3CAPIK3R1
SCHEMBL5014366 0.80 ALDH1A1 (0.43) KDM4EALDH1A1RAB9APIK3CAPIK3R1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1888597-A2 ANTIBACTERIAL AGENTS Warner-Lambert Company LLC (US) 2008-02-20 EP disclosed
WO-2006120563-A2 ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY LLC (US) 2006-11-16 WO disclosed