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Sugi Predict / Compounds / SCHEMBL7313467

SCHEMBL7313467

SCHEMBL7313467

CC(OC1(c2cccs2)c2ccccc2-c2ccc(-c3ccccc3)cc21)[C@H](N)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 16/20 0.36
▸ SLC1A2 P43004 2/20 0.35
▸ SLC1A1 P43005 2/20 0.35
▸ SLC1A3 P43003 1/20 0.35
▸ MEN1 O00255 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ SLC6A9 P48067 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
SCHEMBL7313476 1.00 PDK2 (0.36) PDK2SLC1A2SLC1A1SLC1A3MEN1
SCHEMBL7325924 0.90 SLC1A3 (0.41) PDK2SLC1A2SLC1A1SLC1A3MEN1
SCHEMBL7325928 0.90 SLC1A3 (0.41) PDK2SLC1A2SLC1A1SLC1A3MEN1
SCHEMBL7316697 0.89 KIF11 (0.36) PDK2SLC1A2SLC1A1SLC1A3MEN1
SCHEMBL7316689 0.89 KIF11 (0.36) PDK2SLC1A2SLC1A1SLC1A3MEN1
SCHEMBL7315663 0.87 PDK2 (0.39) PDK2SLC1A2SLC1A1SLC1A3MEN1
SCHEMBL7312498 0.87 PDK2 (0.39) PDK2SLC1A2SLC1A1SLC1A3MEN1
SCHEMBL7312511 0.87 PDK2 (0.39) PDK2SLC1A2SLC1A1SLC1A3MEN1
SCHEMBL7315669 0.87 PDK2 (0.39) PDK2SLC1A2SLC1A1SLC1A3MEN1
SCHEMBL7323711 0.86 PDK2 (0.40) PDK2SLC1A2SLC1A1SLC1A3

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-6162824-A NERVOUS SYSTEM DISORDERS; PSYCHOLOGICAL DISORDERS ALLELIX NEUROSCIENCE INC. 2000-12-19 — — US disclosed