SCHEMBL6889299

SCHEMBL6889299

Cc1c(C(=O)O)c(-c2ccc(C#N)cc2)c(C)n1Cc1cccnc1

nearest known ligand 0.72

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AR P10275 13/20 0.72
PTGDR2 Q9Y5Y4 2/20 0.43
FEN1 P39748 1/20 0.41
CYP11B2 P19099 1/20 0.41
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL6464888 0.89 AR (0.77) ARPTGDR2CYP11B2TSHR
SCHEMBL6469303 0.88 AR (0.67) ARTSHR
SCHEMBL6469333 0.87 AR (0.66) ARPTGDR2
SCHEMBL6465272 0.84 AR (1.00) ARCYP11B2
SCHEMBL6464361 0.82 AR (0.59) ARLMNASMN1; SMN2
SCHEMBL6464828 0.81 AR (0.77) ARPTGDR2CYP11B2
SCHEMBL6466964 0.81 AR (0.66) ARPTGDR2FEN1LMNATSHR
SCHEMBL6464186 0.77 AR (0.81) ARCYP11B2TSHR
SCHEMBL6464840 0.77 AR (0.78) ARPTGDR2CYP11B2
SCHEMBL6468911 0.77 AR (1.00) ARLMNATSHRSMN1; SMN2

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