SCHEMBL23877136

SCHEMBL23877136

CCCS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AR P10275 13/20 0.51
CYP2C19 P33261 1/20 0.47
ABCB11 O95342 1/20 0.47
ALB P02768 1/20 0.47
PGR P06401 1/20 0.47
ADRA2C P18825 1/20 0.47
GHSR Q92847 1/20 0.47

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
SCHEMBL29297468 0.92 AR (0.53) ARCYP2C19ABCB11ALBPGR
SCHEMBL29296707 0.85 AR (0.54) ARCYP2C19ABCB11ALBPGR
SCHEMBL13211348 0.80 AR (0.51) ARCYP2C19PGR
SCHEMBL30105299 0.77 TRPV4 (0.50) ARPGR
SCHEMBL1762353 0.77 TRPV4 (0.50) ARPGR
SCHEMBL16379693 0.77 AR (0.49) ARPGR
SCHEMBL8488892 0.77 AR (0.51) ARCYP2C19PGR
SCHEMBL17776383 0.77 KIF11 (0.51) ARCYP2C19ABCB11ALBPGR
Hydrochloric Acid SCHEMBL28333364 0.76 AR (0.51) ARCYP2C19ABCB11ALBPGR
SCHEMBL21335068 0.75 SLC22A12 (0.52) ARCYP2C19ABCB11ALBPGR

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-2021195278-A1 TRICYCLIC INHIBITORS OF INFLUENZA VIRUS ENDONUCLEASE WEBB THOMAS R (US) 2021-09-30 WO disclosed