SCHEMBL18767864

SCHEMBL18767864

CCN(CC1CCN(C(C)(C)Cc2ccccc2)CC1)C(=O)c1cc2ccccc2[nH]1

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 5/20 0.48
▸ AR P10275 1/20 0.46
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44

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
SCHEMBL18768638 0.93 MDM2 (0.49) AKR1C3
SCHEMBL18768448 0.93 AKR1C3 (0.45) AKR1C3ARMEN1KMT2A
SCHEMBL18768431 0.91 AKR1C3 (0.45) AKR1C3MEN1KMT2A
SCHEMBL18766913 0.91 AKR1C3 (0.44) AKR1C3ARMEN1KMT2A
SCHEMBL18768437 0.90 AKR1C3 (0.46) AKR1C3ARMEN1KMT2A
SCHEMBL18767986 0.90 MEN1 (0.45) AKR1C3MEN1KMT2A
SCHEMBL18768493 0.88 AKR1C3 (0.46) AKR1C3AR
SCHEMBL18768432 0.87 AKR1C3 (0.45) AKR1C3
SCHEMBL18768593 0.87 AKR1C3 (0.44) AKR1C3AR
SCHEMBL18768438 0.86 AKR1C3 (0.47) AKR1C3ARMEN1KMT2A

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
WO-2017066705-A1 COMPOUNDS, COMPOSITIONS AND METHODS OF USE AGAINST STRESS GRANULES AQUINNAH PHARMACEUTICALS, INC. (US) 2017-04-20 — — WO disclosed
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