SCHEMBL20847600

SCHEMBL20847600

COC(=O)c1ccc(CN(Sc2c(F)c(F)c(F)c(F)c2F)C2CC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 4/20 0.43
HDAC6 Q9UBN7 4/20 0.43
CYP4A11 Q02928 2/20 0.42
HDAC3 O15379 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
LOXL2 Q9Y4K0 1/20 0.41
KDM4E B2RXH2 2/20 0.40
EPHX1 P07099 1/20 0.40
NPC1 O15118 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
RAB9A P51151 2/20 0.39
MAPK1 P28482 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PSEN1 P49768 1/20 0.39
PSEN2 P49810 1/20 0.39
APH1B Q8WW43 1/20 0.39
NCSTN Q92542 1/20 0.39
APH1A Q96BI3 1/20 0.39
PSENEN Q9NZ42 1/20 0.39

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
SCHEMBL20847506 0.95 EPHX1 (0.43) HDAC8HDAC6CYP4A11HDAC3HDAC11
SCHEMBL20847775 0.85 KMT2A (0.44) HDAC8HDAC6HDAC3HDAC11MEN1
SCHEMBL24473070 0.84 HDAC6 (0.61) HDAC8HDAC6HDAC3HDAC11
SCHEMBL20847480 0.84 HDAC6 (0.43) HDAC8HDAC6HDAC3HDAC11
SCHEMBL20847785 0.83 LMNA (0.47) NPC1SMN1; SMN2RAB9AMEN1KMT2A
SCHEMBL20847622 0.81 L3MBTL1 (0.40) SMN1; SMN2ALDH1A1
SCHEMBL20847664 0.79 ESR1 (0.38) HDAC8HDAC6HDAC3HDAC11ALDH1A1
SCHEMBL20847642 0.77 SLC6A4 (0.35) HDAC8HDAC6KDM4EMEN1KMT2A
SCHEMBL20847604 0.76 SLC6A2 (0.38) HDAC8HDAC6HDAC3HDAC11PSEN1
SCHEMBL24473204 0.75 HDAC6 (0.62) HDAC8HDAC6HDAC3HDAC11

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-2019056120-A1 PENTAFLUOROPHENYL SULFONAMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF DALRIADA THERAPEUTICS INC. (CA) 2019-03-28 WO disclosed