SCHEMBL6890107

SCHEMBL6890107

Cc1cc(-c2ccc(C#N)cc2)cn1Cc1cccnc1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.58
CYP11B2 P19099 11/20 0.50
CYP11B1 P15538 10/20 0.47
CYP19A1 P11511 2/20 0.47
CYP17A1 P05093 1/20 0.44
CYP3A4 P08684 1/20 0.42
APP P05067 1/20 0.40
SNCA P37840 1/20 0.40
GRIN2B Q13224 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
SCHEMBL1990597 0.84 P2RX7 (0.50) CYP11B2CYP11B1CYP3A4GRIN2B
SCHEMBL6469473 0.80 AR (0.66) ARCYP11B2CYP11B1CYP19A1APP
SCHEMBL6884093 0.76 AR (0.58) ARCYP11B2CYP11B1CYP19A1CYP3A4
SCHEMBL6469658 0.76 AR (0.58) ARCYP11B2CYP11B1CYP19A1CYP17A1
SCHEMBL6465272 0.73 AR (1.00) ARCYP11B2CYP11B1CYP19A1CYP17A1
SCHEMBL6464828 0.72 AR (0.77) ARCYP11B2CYP11B1CYP19A1CYP17A1
SCHEMBL6468334 0.71 AR (0.54) ARCYP11B2CYP11B1
SCHEMBL14347702 0.71 CYP19A1 (0.38) ARCYP11B2CYP11B1CYP19A1GRIN2B
SCHEMBL20604637 0.70 APP (0.52) ARCYP11B2CYP11B1CYP19A1APP
SCHEMBL22359944 0.70 APP (0.49) ARCYP11B2CYP11B1CYP19A1CYP17A1

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