SCHEMBL5012859

SCHEMBL5012859

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

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.35
ALDH1A1 P00352 2/20 0.34
RAB9A P51151 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.32
HTT P42858 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
HPGD P15428 1/20 0.30
CYP2C19 P33261 1/20 0.30
LMNA P02545 1/20 0.30
MEN1 O00255 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL5014337 0.85 KDM4E (0.35) KDM4EALDH1A1RAB9AIRAK4HTT
SCHEMBL5011046 0.83 KDM4E (0.34) KDM4EALDH1A1RAB9AHTTL3MBTL1
SCHEMBL5011042 0.83 KDM4E (0.34) KDM4EALDH1A1RAB9AHTTL3MBTL1
SCHEMBL5012158 0.83 KDM4E (0.34) KDM4EALDH1A1RAB9AHTTL3MBTL1
SCHEMBL5012712 0.83 ALDH1A1 (0.32) ALDH1A1RAB9A
SCHEMBL5054392 0.81 KDM4E (0.31) KDM4EALDH1A1RAB9AHPGDCYP2C19
SCHEMBL5010975 0.81 KDM4E (0.33) KDM4EALDH1A1RAB9AHTT
SCHEMBL5063593 0.81 KDM4E (0.33) KDM4EALDH1A1RAB9AHTT
SCHEMBL5012206 0.81 KDM4E (0.33) KDM4EALDH1A1RAB9AHTT
SCHEMBL5012744 0.81 KDM4E (0.33) KDM4EALDH1A1RAB9AHTTKMT2A

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