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Sugi Predict / Compounds / SCHEMBL18767314

SCHEMBL18767314

SCHEMBL18767314

CCN(CC1CCN(C(C)(C)Cc2ccccc2OC)CC1)C(=O)c1cc2ccccc2[nH]1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 6/20 0.45
▸ MEN1 O00255 3/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ FLT3 P36888 1/20 0.40
▸ KDM4E B2RXH2 2/20 0.39
▸ HPGD P15428 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ DRD3 P35462 1/20 0.39
▸ CHRM5 P08912 1/20 0.39

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
SCHEMBL18768493 0.89 AKR1C3 (0.46) AKR1C3KDM4E
SCHEMBL18768432 0.88 AKR1C3 (0.45) AKR1C3KDM4ECHRM5
SCHEMBL18768452 0.88 AKR1C3 (0.42) AKR1C3MEN1KMT2ADRD3
SCHEMBL18768626 0.87 MEN1 (0.46) AKR1C3MEN1KMT2A
SCHEMBL18768431 0.86 AKR1C3 (0.45) AKR1C3MEN1KMT2AKDM4EDRD3
SCHEMBL18767864 0.86 AKR1C3 (0.48) AKR1C3MEN1KMT2A
SCHEMBL18768637 0.86 AKR1C3 (0.43) AKR1C3KDM4E
SCHEMBL18767986 0.85 MEN1 (0.45) AKR1C3MEN1KMT2AFLT3DRD3
SCHEMBL18768448 0.84 AKR1C3 (0.45) AKR1C3MEN1KMT2A
SCHEMBL18768584 0.84 AKR1C3 (0.42) AKR1C3DRD3

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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