SCHEMBL20847480

SCHEMBL20847480

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

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 11/20 0.43
HDAC8 Q9BY41 9/20 0.43
HDAC3 O15379 3/20 0.41
HDAC11 Q96DB2 2/20 0.41
NSD2 O96028 1/20 0.38
KCNA5 P22460 1/20 0.36
PARP10 Q53GL7 4/20 0.36
MAOB P27338 2/20 0.36
PLA2G10 O15496 1/20 0.36
PLA2G2A P14555 1/20 0.36
PARP15 Q460N3 1/20 0.35
PARP2 Q9UGN5 1/20 0.35

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
SCHEMBL20847775 0.88 KMT2A (0.44) HDAC6HDAC8HDAC3HDAC11NSD2
SCHEMBL24473070 0.85 HDAC6 (0.61) HDAC6HDAC8HDAC3HDAC11
SCHEMBL22482913 0.84 HDAC6 (0.43) HDAC6HDAC8HDAC3HDAC11NSD2
SCHEMBL20847600 0.84 HDAC8 (0.43) HDAC6HDAC8HDAC3HDAC11
SCHEMBL20847664 0.82 ESR1 (0.38) HDAC6HDAC8HDAC3HDAC11NSD2
SCHEMBL20847506 0.79 EPHX1 (0.43) HDAC6HDAC8HDAC3HDAC11
SCHEMBL20847604 0.79 SLC6A2 (0.38) HDAC6HDAC8HDAC3HDAC11
SCHEMBL20847477 0.78 SLC6A2 (0.39) HDAC6HDAC8HDAC3HDAC11
SCHEMBL20847602 0.77 AGER (0.38) HDAC6HDAC8HDAC3NSD2
SCHEMBL20847650 0.76 ALDH1A1 (0.35) HDAC6HDAC8

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