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Sugi Predict / Compounds / SCHEMBL24891747

SCHEMBL24891747

SCHEMBL24891747

CC(C)(C)OC(=O)/N=C(/NC(=O)OC(C)(C)C)N1CC=C(c2ccc(NC(=O)c3ccc(C(=O)Nc4ccc5c(c4)CN(/C(=N/C(=O)OC(C)(C)C)N4C(=O)OC4(C)C)C5)cc3)cc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 16/20 0.42
▸ TMPRSS2 O15393 2/20 0.36
▸ PIK3CA P42336 1/20 0.36
▸ MTOR P42345 1/20 0.36

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
SCHEMBL24891742 0.89 NAMPT (0.51) NAMPTTMPRSS2
SCHEMBL30182412 0.89 NAMPT (0.51) NAMPTTMPRSS2
SCHEMBL24669413 0.88 NAMPT (0.49) NAMPTTMPRSS2
SCHEMBL29803623 0.86 NAMPT (0.47) NAMPTTMPRSS2
SCHEMBL24670218 0.81 NAMPT (0.46) NAMPTTMPRSS2
SCHEMBL24670217 0.81 NAMPT (0.46) NAMPTTMPRSS2
SCHEMBL24671258 0.80 NAMPT (0.45) NAMPTTMPRSS2
SCHEMBL29803326 0.80 TMPRSS2 (0.42) NAMPTTMPRSS2
SCHEMBL24669385 0.79 NAMPT (0.41) NAMPTTMPRSS2
SCHEMBL29803342 0.79 NAMPT (0.47) NAMPT

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-2023287736-A1 NOVEL BIS-AMIDE CONTAINING COMPOUNDS EXHIBITING ANTIFUNGAL ACTIVITY AND THEIR METHOD OF USE FOX CHASE CHEMICAL DIVERSITY CENTER, INC. (US) 2023-01-19 — — WO disclosed