SCHEMBL29914784

SCHEMBL29914784

CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)[C@@H](Cc1c[nH]cn1)C(=O)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.40
▸ BCL9 O00512 1/20 0.36
▸ CTNNB1 P35222 1/20 0.36
▸ ALDH1A1 P00352 4/20 0.36
▸ SMN1; SMN2 Q16637 4/20 0.36
▸ ACHE P22303 2/20 0.36
▸ SLC6A4 P31645 2/20 0.36
▸ MGLL Q99685 2/20 0.35
▸ HTR2A P28223 1/20 0.35
▸ MAPT P10636 4/20 0.34
▸ NPC1 O15118 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ CRHBP P24387 1/20 0.34
▸ CRHR2 Q13324 1/20 0.34

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
SCHEMBL8189733 0.79 TDP1 (0.34) ALDH1A1MAPTNPSR1LMNA
SCHEMBL28129418 0.78 BCL9 (0.40) GAABCL9CTNNB1ALDH1A1MGLL
SCHEMBL6833631 0.77 TDP1 (0.33) MAPTNPSR1
SCHEMBL4891567 0.77 TDP1 (0.33) MAPTNPSR1
SCHEMBL7959193 0.75 GAA (0.43) GAABCL9CTNNB1ALDH1A1SMN1; SMN2
SCHEMBL4391556 0.75 GAA (0.43) GAABCL9CTNNB1ALDH1A1SMN1; SMN2
SCHEMBL7267095 0.75 POLB (0.45) MAPT
SCHEMBL7326761 0.75 MAPT (0.35) GAAALDH1A1SMN1; SMN2MAPTNPSR1
SCHEMBL5873703 0.73 — —
SCHEMBL9320151 0.72 TPSAB1 (0.43) MAPT

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
EP-3118211-B1 AMIDE COMPOUNDS, METHODS FOR PREPARATION, AND USE THEREOF AS AGENTS FOR THE TREATMENT AND PREVENTION OF DISEASES CAUSED BY RNA-AND/OR DNA-CONTAINING VIRUSES AND CONCOMITANT DISEASES OBSCHESTVO S OGRANICHENNOI OTVETSTVENNOSTIYU PHARMENTERPRISES (RU) 2022-10-12 — — EP disclosed
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