SCHEMBL2632993

SCHEMBL2632993

Cc1ccc(N2C(=O)C3(CCC3)N(c3ccc(C(=O)Nc4ccc(C(F)(F)F)c(C#N)c4)cc3)C2=S)cc1C(F)(F)F

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AR P10275 19/20 0.57
HDAC1 Q13547 2/20 0.51
NR3C1 P04150 1/20 0.50
GABRP O00591 1/20 0.49
GABRD O14764 1/20 0.49
GABRA1 P14867 1/20 0.49
GABRB1 P18505 1/20 0.49
GABRG2 P18507 1/20 0.49
GABRB3 P28472 1/20 0.49
GABRA5 P31644 1/20 0.49
GABRA3 P34903 1/20 0.49
GABRA2 P47869 1/20 0.49
GABRB2 P47870 1/20 0.49
GABRA4 P48169 1/20 0.49
GABRE P78334 1/20 0.49
GABRA6 Q16445 1/20 0.49
GABRG1 Q8N1C3 1/20 0.49
GABRG3 Q99928 1/20 0.49
GABRQ Q9UN88 1/20 0.49

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
SCHEMBL7034839 0.94 AR (0.57) ARHDAC1NR3C1GABRPGABRD
SCHEMBL1715562 0.93 AR (0.64) ARHDAC1NR3C1
SCHEMBL30184864 0.93 AR (0.64) ARHDAC1NR3C1
SCHEMBL7031925 0.89 AR (0.66) AR
SCHEMBL20003455 0.83 AR (0.52) ARHDAC1NR3C1
SCHEMBL1715104 0.82 AR (0.69) ARHDAC1NR3C1GABRPGABRD
SCHEMBL30184903 0.82 AR (0.69) ARHDAC1NR3C1GABRPGABRD
SCHEMBL30184878 0.79 AR (0.69) ARHDAC1NR3C1
SCHEMBL1716007 0.79 AR (0.69) ARHDAC1NR3C1
SCHEMBL16564502 0.78 AR (0.68) ARNR3C1

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
EP-2444085-A1 Diarylhydantoin compounds as androgen receptor antagonists for treatment of cancer The Regents of The University of California (US) 2012-04-25 EP disclosed