SCHEMBL13439631

SCHEMBL13439631

CCC(C)(CC)Nc1ccc2c(CF)cc(=O)[nH]c2c1

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 19/20 0.56
▸ MEN1 O00255 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ KMT2A Q03164 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
SCHEMBL13439804 0.90 AR (0.70) ARMEN1GAAKMT2A
SCHEMBL13439806 0.82 AR (0.69) ARMEN1GAAKMT2A
SCHEMBL1772233 0.82 AR (0.81) AR
SCHEMBL12649316 0.80 AR (0.51) ARMEN1GAAKMT2A
SCHEMBL12649214 0.77 AR (0.43) ARMEN1KMT2A
SCHEMBL13439803 0.75 KMT2A (0.44) ARMEN1KMT2A
SCHEMBL1771147 0.72 AR (1.00) AR
SCHEMBL1772028 0.71 AR (0.78) AR
SCHEMBL12649315 0.70 AR (0.58) ARMEN1GAAKMT2A
SCHEMBL1771802 0.68 AR (0.67) AR

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
US-7696246-B2 Bicyclic androgen and progesterone receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED (US) 2010-04-13 — — US disclosed
Send feedback