SCHEMBL28904285

SCHEMBL28904285

C/C(=C/CNc1ccc(C#N)c(C(F)(F)F)c1)n1cc(F)cn1

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AR P10275 20/20 0.52
PGR P06401 2/20 0.52
CYP2C19 P33261 1/20 0.41

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
SCHEMBL28904272 1.00 AR (0.52) ARPGRCYP2C19
SCHEMBL30104698 0.81 AR (0.59) ARPGR
SCHEMBL26364958 0.81 AR (0.59) ARPGR
SCHEMBL26364956 0.81 AR (0.59) ARPGR
SCHEMBL28904318 0.77 AR (0.45) ARPGRCYP2C19
SCHEMBL28904265 0.77 AR (0.51) ARPGRCYP2C19
SCHEMBL3294915 0.70 AR (0.48) AR
SCHEMBL21891632 0.70 AR (0.71) ARPGR
SCHEMBL30104648 0.69 AR (0.62) ARPGR
SCHEMBL26364959 0.69 AR (0.62) ARPGR

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
CN-115427028-A Selective Androgen Receptor Covalent Antagonists (SARCA) and methods of use thereof 田纳西大学研究基金会 2022-12-02 CN disclosed