SCHEMBL808046

SCHEMBL808046

C=C(/N=C(N)\N=C(/N)c1noc(N2CCN(S(=O)(=O)CC(F)(F)F)CC2)n1)N(C)c1ccccc1

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.31
HDAC4 P56524 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
CCR5 P51681 1/20 0.30
KCNH2 Q12809 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
SCHEMBL808022 0.83 LMNA (0.35) GAA
SCHEMBL808024 0.82 TSHR (0.37)
SCHEMBL808032 0.78 DHFR (0.34)
SCHEMBL808343 0.77 SCD (0.34)
SCHEMBL808223 0.77 LMNA (0.43) GAAKCNH2
SCHEMBL808232 0.77 CNR2 (0.32)
SCHEMBL808026 0.76
SCHEMBL808048 0.76 LMNA (0.36) GAAKCNH2
SCHEMBL807785 0.73 HDAC4 (0.30) HDAC4HDAC8HDAC6
SCHEMBL10286916 0.73 ALDH1A1 (0.38) GAA

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-2012035023-A1 TRIAZINE-OXADIAZOLES NOVARTIS AG (CH) 2012-03-22 WO disclosed