SCHEMBL4566616

SCHEMBL4566616

CC(C)(C)C(C)(C(=O)O)n1c(C(F)F)cc2c(Cl)c(C#N)ccc21

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 15/20 0.43
▸ PGR P06401 6/20 0.43
▸ SLC22A12 Q96S37 3/20 0.35
▸ MAOA P21397 1/20 0.33

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
SCHEMBL2433852 0.77 AR (0.44) ARPGRSLC22A12MAOA
SCHEMBL4566615 0.75 AR (0.45) ARPGR
SCHEMBL2431292 0.75 AR (0.49) ARPGRMAOA
SCHEMBL2428087 0.73 AR (0.43) ARPGRSLC22A12
SCHEMBL4552329 0.73 AR (0.40) ARPGR
SCHEMBL2435565 0.73 STAT3 (0.41) ARPGR
SCHEMBL2428149 0.73 AR (0.47) ARPGRMAOA
SCHEMBL2433297 0.71 AR (0.38) ARPGRMAOA
SCHEMBL12292864 0.71 POLB (0.43) ARPGR
SCHEMBL2430915 0.71 AR (0.46) ARPGRMAOA

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-2079466-A2 SUBSTITUTED INDOLE COMPOUNDS SmithKline Beecham Corporation (US) 2009-07-22 — — EP disclosed
WO-2008042571-A2 SUBSTITUTED INDOLE COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2008-04-10 — — WO disclosed
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