SCHEMBL8865640

SCHEMBL8865640

C=CCN1C(=S)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=O)C1(C)C

nearest known ligand 0.69

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AR P10275 15/20 0.69
HDAC1 Q13547 4/20 0.64

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
SCHEMBL4025626 0.90 AR (0.68) AR
SCHEMBL8865913 0.88 AR (0.54) ARHDAC1
SCHEMBL4021837 0.87 AR (0.74) ARHDAC1
SCHEMBL13647001 0.86 AR (0.72) ARHDAC1
SCHEMBL13647000 0.86 AR (0.74) ARHDAC1
SCHEMBL23260981 0.86 AR (0.72) ARHDAC1
SCHEMBL8704637 0.85 AR (0.77) ARHDAC1
SCHEMBL4024956 0.85 AR (0.77) ARHDAC1
SCHEMBL1967034 0.85 AR (0.64) ARHDAC1
SCHEMBL8516366 0.84 AR (0.70) ARHDAC1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5656651-A DETECTING TUMOR CELLS BIOPHYSICA INC. (US) 1997-08-12 US claimed
US-5656651-A DETECTING TUMOR CELLS BIOPHYSICA INC. (US) 1997-08-12 US disclosed