SCHEMBL20847641

SCHEMBL20847641

CC(C)N(Cc1ccc(F)cc1F)Sc1c(F)c(F)c(F)c(F)c1F

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.40
SLC6A4 P31645 2/20 0.40
SLC6A3 Q01959 2/20 0.40
RIPK1 Q13546 2/20 0.38
IDO1 P14902 2/20 0.36
AGXT P21549 2/20 0.36
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.33
HTR2A P28223 6/20 0.32
NR3C1 P04150 1/20 0.32
TAS2R14 Q9NYV8 1/20 0.32
PPARG P37231 1/20 0.31
HTR2C P28335 1/20 0.31
KCNH2 Q12809 1/20 0.31

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
SCHEMBL20847654 0.82 ALDH1A1 (0.38) SLC6A2SLC6A3RIPK1KDM4EALDH1A1
SCHEMBL20847503 0.80 RIPK1 (0.34) RIPK1
SCHEMBL20847791 0.72 SLC6A2 (0.42) SLC6A2SLC6A4SLC6A3RIPK1IDO1
SCHEMBL20847474 0.72 SLC6A2 (0.42) SLC6A2SLC6A4SLC6A3RIPK1IDO1
SCHEMBL20847640 0.70 HDAC6 (0.48) SLC6A2SLC6A4SLC6A3RIPK1SMN1; SMN2
SCHEMBL6856773 0.68 RIPK1 (0.53) SLC6A2SLC6A4SLC6A3RIPK1IDO1
SCHEMBL19143940 0.68 RIPK1 (0.43) SLC6A2SLC6A4SLC6A3RIPK1IDO1
SCHEMBL22909581 0.67 DAO (0.37) SLC6A2SLC6A4SLC6A3RIPK1IDO1
SCHEMBL10586299 0.66 TYR (0.56) SLC6A2SLC6A4SLC6A3RIPK1IDO1
SCHEMBL434483 0.65 IDO1 (0.46) SLC6A2SLC6A4SLC6A3IDO1AGXT

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