SCHEMBL20847642

SCHEMBL20847642

CSc1ccc(CN(Sc2c(F)c(F)c(F)c(F)c2F)C2CC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 9/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
TSHR P16473 1/20 0.34
LMNA P02545 1/20 0.34
SLC6A2 P23975 2/20 0.33
SLC6A3 Q01959 2/20 0.33
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
MAOA P21397 1/20 0.32
POLB P06746 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
SCHEMBL20847664 0.82 ESR1 (0.38) ALDH1A1HDAC8HDAC6
SCHEMBL20847604 0.82 SLC6A2 (0.38) SLC6A4SLC6A2SLC6A3HDAC8HDAC6
SCHEMBL20847622 0.82 L3MBTL1 (0.40) ALDH1A1
SCHEMBL20847477 0.81 SLC6A2 (0.39) SLC6A4KDM4EALDH1A1SLC6A2HDAC8
SCHEMBL20847602 0.81 AGER (0.38) SLC6A4ALDH1A1LMNASLC6A2SLC6A3
SCHEMBL20847669 0.79 AGER (0.40) SLC6A4ALDH1A1LMNASLC6A2SLC6A3
SCHEMBL20847650 0.79 ALDH1A1 (0.35) KDM4EALDH1A1LMNAHDAC8HDAC6
SCHEMBL20847740 0.79 NSD2 (0.47) SLC6A4SLC6A2SLC6A3MAOA
SCHEMBL20847575 0.78 AGER (0.42) SLC6A4ALDH1A1LMNASLC6A2SLC6A3
SCHEMBL20847775 0.78 KMT2A (0.44) ALDH1A1HDAC8HDAC6MEN1KMT2A

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