Sugi Predict

Sugi Predict / Compounds / SCHEMBL24891742

SCHEMBL24891742

SCHEMBL24891742

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)NC(=O)OC(C)(C)C)C5)cc3)cc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 17/20 0.51
▸ TMPRSS2 O15393 2/20 0.43

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
SCHEMBL30182412 1.00 NAMPT (0.51) NAMPTTMPRSS2
SCHEMBL24669413 0.99 NAMPT (0.49) NAMPTTMPRSS2
SCHEMBL29803623 0.95 NAMPT (0.47) NAMPTTMPRSS2
SCHEMBL24670217 0.91 NAMPT (0.46) NAMPTTMPRSS2
SCHEMBL24670218 0.91 NAMPT (0.46) NAMPTTMPRSS2
SCHEMBL24671258 0.90 NAMPT (0.45) NAMPTTMPRSS2
SCHEMBL24669385 0.89 NAMPT (0.41) NAMPTTMPRSS2
SCHEMBL24891747 0.89 NAMPT (0.42) NAMPTTMPRSS2
SCHEMBL24670810 0.88 NAMPT (0.41) NAMPTTMPRSS2
SCHEMBL29803649 0.88 NAMPT (0.41) NAMPTTMPRSS2

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