SCHEMBL6884093

SCHEMBL6884093

Cc1cn(Cc2cccnc2)c(C(C)(C)C)c1-c1ccc(C#N)cc1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AR P10275 5/20 0.58
CYP11B2 P19099 8/20 0.42
CYP11B1 P15538 7/20 0.41
CYP19A1 P11511 1/20 0.40
APP P05067 1/20 0.37
SNCA P37840 1/20 0.37
ALDH1A1 P00352 2/20 0.37
LMNA P02545 2/20 0.37
GRIN2B Q13224 1/20 0.37
CYP3A4 P08684 1/20 0.37
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
RAB9A P51151 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL6468334 0.81 AR (0.54) ARCYP11B2CYP11B1KDM4E
SCHEMBL6890107 0.76 AR (0.58) ARCYP11B2CYP11B1CYP19A1APP
SCHEMBL6469473 0.75 AR (0.66) ARCYP11B2CYP11B1CYP19A1APP
SCHEMBL6465272 0.74 AR (1.00) ARCYP11B2CYP11B1CYP19A1ALDH1A1
SCHEMBL6469658 0.74 AR (0.58) ARCYP11B2CYP11B1CYP19A1CYP3A4
SCHEMBL6464828 0.73 AR (0.77) ARCYP11B2CYP11B1CYP19A1ALDH1A1
SCHEMBL6890606 0.70 AR (0.52) ARCYP11B2CYP11B1CYP19A1
SCHEMBL6464186 0.70 AR (0.81) ARCYP11B2CYP11B1ALDH1A1CYP3A4
SCHEMBL6464840 0.70 AR (0.78) ARCYP11B2CYP11B1
SCHEMBL6886740 0.69 AR (0.52) ARCYP11B2CYP11B1CYP19A1CYP3A4

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