SCHEMBL29577376

SCHEMBL29577376

Fc1cc(CN(Cc2ccc(Cl)nc2)c2ccoc2)cc(F)c1F

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.32
MAPT P10636 2/20 0.32
CTSL P07711 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
HDAC5 Q9UQL6 1/20 0.31
KDM4E B2RXH2 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
LMNA P02545 1/20 0.30
MDM2 Q00987 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
SCHEMBL29577153 0.90 CTSL (0.35) GAAMAPTCTSLHDAC1HDAC6
SCHEMBL29577209 0.89 KCNQ3 (0.34) GAAMAPTCTSLHDAC1HDAC6
SCHEMBL29576922 0.87 CTSL (0.34) GAAMAPTCTSLKDM4EL3MBTL1
SCHEMBL29576842 0.87 KCNQ3 (0.34) GAAMAPTCTSLHDAC1HDAC6
SCHEMBL29576826 0.86 GAA (0.32) GAAMAPTKDM4EL3MBTL1
SCHEMBL29576693 0.86 ESR1 (0.34) GAAMAPTKDM4EL3MBTL1MDM2
SCHEMBL29577987 0.86 MDM2 (0.31) GAAMAPTCTSLMDM2
SCHEMBL29577147 0.86 OXTR (0.39) GAAMAPTCTSLMDM2
SCHEMBL29576799 0.85 CTSL (0.33) GAACTSLKDM4EL3MBTL1LMNA
SCHEMBL29577023 0.84 GAA (0.33) GAAMAPTKDM4EL3MBTL1

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
CN-108558841-B 4- (N, N-disubstituted) furan-2 (5H) -ketone derivative, preparation method and application thereof 贵州大学 2022-04-12 CN claimed