SCHEMBL15468236

SCHEMBL15468236

N#Cc1ccc(NC(=O)CCCc2ccc(N3C(=S)N(c4ccc(C#N)c(C(F)(F)F)c4)C(=O)C34CCC4)cc2)cc1CF

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AR P10275 19/20 0.59
NR3C1 P04150 1/20 0.53
HDAC1 Q13547 3/20 0.47
HDAC3 O15379 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC6 Q9UBN7 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
SCHEMBL2633035 0.94 AR (0.63) ARNR3C1HDAC1
SCHEMBL13973946 0.90 AR (0.51) ARNR3C1HDAC1HDAC3HDAC2
SCHEMBL10072559 0.90 AR (0.59) ARNR3C1HDAC1
SCHEMBL30184873 0.87 AR (0.76) ARNR3C1HDAC1
SCHEMBL547082 0.87 AR (0.76) ARNR3C1HDAC1
SCHEMBL29508770 0.85 AR (0.65) ARNR3C1
SCHEMBL30184879 0.85 AR (0.75) ARNR3C1
SCHEMBL547406 0.85 AR (0.65) ARNR3C1
SCHEMBL547047 0.85 AR (0.75) ARNR3C1
SCHEMBL29508773 0.84 AR (0.64) ARNR3C1HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9126941-B2 Treatment of hyperproliferative disorders with diarylhydantoin compounds THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-09-08 US disclosed
US-8658681-B2 2014-02-25 US disclosed
US-8648105-B2 Diarylthiohydantoin compounds THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-02-11 US disclosed