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Sugi Predict / Compounds / SCHEMBL24891771

SCHEMBL24891771

SCHEMBL24891771

CC(C)(C)OC(=O)/N=C(/NCc1ccc(NC(=O)C23CCC(C(=O)Nc4ccc(C5=CCN(/C(=N\C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)CC5)cc4)(CC2)CC3)cc1)NC(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 17/20 0.44
▸ WNT3A P56704 1/20 0.36
▸ KIT P10721 1/20 0.36
▸ FPR3 P25089 1/20 0.35
▸ FPR2 P25090 1/20 0.35

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
SCHEMBL30182317 1.00 NAMPT (0.44) NAMPTWNT3AKITFPR3FPR2
SCHEMBL24891648 0.97 NAMPT (0.43) NAMPTWNT3AKIT
SCHEMBL24892125 0.95 NAMPT (0.41) NAMPTWNT3AKITFPR3FPR2
SCHEMBL30182425 0.95 NAMPT (0.44) NAMPTWNT3AKIT
SCHEMBL24891650 0.93 NAMPT (0.41) NAMPTWNT3AKITFPR3FPR2
SCHEMBL24892039 0.93 NAMPT (0.43) NAMPTWNT3A
SCHEMBL24891922 0.93 NAMPT (0.47) NAMPT
SCHEMBL24891732 0.92 NAMPT (0.43) NAMPTWNT3A
SCHEMBL24669388 0.91 NAMPT (0.44) NAMPTWNT3A
SCHEMBL24669386 0.91 NAMPT (0.44) NAMPTWNT3A

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