SCHEMBL6889350

SCHEMBL6889350

Cc1c(C#N)c(-c2ccc(C#N)cc2)c(C)n1Cc1ccc(C(N)=O)nc1

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AR P10275 10/20 0.69
VNN1 O95497 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.39
SLC2A1 P11166 2/20 0.39
SLC2A3 P11169 2/20 0.39
SLC2A4 P14672 2/20 0.39
EGLN1 Q9GZT9 1/20 0.38
GRM2 Q14416 1/20 0.38
CCR9 P51686 1/20 0.38
KLKB1 P03952 1/20 0.37
KLK1 P06870 1/20 0.37
CYP11B1 P15538 1/20 0.37
GRIA2 P42262 1/20 0.37
GRIA4 P48058 1/20 0.37

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
SCHEMBL6468113 0.91 AR (0.71) ARPTGDR2EGLN1CCR9GRIA2
SCHEMBL6891066 0.89 AR (0.66) ARPTGDR2EGLN1CCR9CYP11B1
SCHEMBL6469801 0.89 AR (0.66) ARPTGDR2EGLN1CYP11B1
SCHEMBL6888241 0.89 AR (0.69) ARPTGDR2EGLN1KLKB1KLK1
SCHEMBL6464451 0.85 AR (0.80) ARPTGDR2CYP11B1
SCHEMBL6469502 0.84 AR (0.75) ARCYP11B1
SCHEMBL6465983 0.82 AR (0.66) AR
SCHEMBL6466407 0.82 AR (0.75) ARPTGDR2CYP11B1
SCHEMBL6468893 0.82 AR (0.75) ARCYP11B1
SCHEMBL6465291 0.82 AR (1.00) ARCYP11B1

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-1466902-A1 ANDROGEN RECEPTOR ANTAGONISTS Takeda Chemical Industries, Ltd. (JP) 2004-10-13 EP disclosed