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SCHEMBL6884243

SCHEMBL6884243

[C]c1c(-c2ccc(C#N)cc2)c(C)n(Cc2ccc(C(C)CO)nc2)c1C

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 10/20 0.53
▸ FYN P06241 1/20 0.35
▸ CYP11B2 P19099 4/20 0.35
▸ CYP11B1 P15538 3/20 0.35
▸ CCR9 P51686 1/20 0.34
▸ PTGDR2 Q9Y5Y4 1/20 0.33
▸ CYP19A1 P11511 1/20 0.33
▸ CNR1 P21554 1/20 0.33
▸ BRD4 O60885 1/20 0.32

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
SCHEMBL6464535 0.90 AR (0.67) ARFYNCYP11B2CYP11B1CCR9
SCHEMBL6889343 0.82 AR (0.60) ARFYNCYP11B2CYP11B1CYP19A1
SCHEMBL6464451 0.72 AR (0.80) ARCYP11B2CYP11B1PTGDR2CYP19A1
SCHEMBL6465291 0.70 AR (1.00) ARCYP11B2CYP11B1CYP19A1
SCHEMBL6468893 0.70 AR (0.75) ARCYP11B2CYP11B1CYP19A1
SCHEMBL6466407 0.70 AR (0.75) ARCYP11B2CYP11B1PTGDR2CYP19A1
SCHEMBL6469502 0.70 AR (0.75) ARCYP11B2CYP11B1CYP19A1BRD4
SCHEMBL6464529 0.69 AR (0.69) ARCYP11B2CYP11B1CCR9PTGDR2
SCHEMBL6468113 0.69 AR (0.71) ARCCR9PTGDR2
SCHEMBL6889350 0.69 AR (0.69) ARCYP11B1CCR9PTGDR2

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