SCHEMBL20847602

SCHEMBL20847602

Fc1ccc(CN(Sc2c(F)c(F)c(F)c(F)c2F)C2CCC2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGER Q15109 2/20 0.38
MTNR1A P48039 1/20 0.38
ALDH1A1 P00352 5/20 0.37
KMT2A Q03164 2/20 0.37
USP2 O75604 1/20 0.37
MEN1 O00255 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
POLB P06746 1/20 0.35
HRH4 Q9H3N8 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
NSD2 O96028 1/20 0.34
LMNA P02545 2/20 0.33
PKM P14618 1/20 0.33
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
HDAC3 O15379 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32

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
SCHEMBL20847669 0.98 AGER (0.40) AGERMTNR1AALDH1A1KMT2AUSP2
SCHEMBL20847575 0.97 AGER (0.42) AGERMTNR1AALDH1A1KMT2AUSP2
SCHEMBL20847492 0.85 HDAC8 (0.37) AGERMTNR1AALDH1A1SLC6A2SLC6A4
SCHEMBL20847639 0.83 ELOVL1 (0.39) KMT2AMEN1SLC6A2SLC6A4SLC6A3
SCHEMBL20847604 0.83 SLC6A2 (0.38) AGERSLC6A2SLC6A4SLC6A3POLB
SCHEMBL20847664 0.83 ESR1 (0.38) ALDH1A1NSD2ESR1ESR2HDAC3
SCHEMBL20847477 0.82 SLC6A2 (0.39) ALDH1A1SLC6A2SLC6A4HDAC3HDAC8
SCHEMBL20847791 0.81 SLC6A2 (0.42) ALDH1A1SLC6A2SLC6A4SLC6A3
SCHEMBL20847642 0.81 SLC6A4 (0.35) ALDH1A1KMT2AMEN1SLC6A2SLC6A4
SCHEMBL20847637 0.79 SLC6A2 (0.39) AGERMTNR1AALDH1A1KMT2AUSP2

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