Sugi Predict

Sugi Predict / Compounds / SCHEMBL24891732

SCHEMBL24891732

SCHEMBL24891732

CC(C)(C)OC(=O)/N=C(/NC(=O)OC(C)(C)C)N1CC=C(c2ccc(NC(=O)C34CCC(C(=O)Nc5ccc(CCN/C(=N\C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)cc5)(CC3)CC4)cc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 17/20 0.43
▸ DRD2 P14416 1/20 0.37
▸ WNT3A P56704 1/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 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
SCHEMBL30182566 0.95 NAMPT (0.43) NAMPTDRD2WNT3ACA1CA2
SCHEMBL24891771 0.92 NAMPT (0.44) NAMPTWNT3A
SCHEMBL30182317 0.92 NAMPT (0.44) NAMPTWNT3A
SCHEMBL24891922 0.91 NAMPT (0.47) NAMPT
SCHEMBL24670225 0.91 NAMPT (0.43) NAMPTDRD2WNT3A
SCHEMBL29803349 0.91 NAMPT (0.43) NAMPTDRD2WNT3A
SCHEMBL24891814 0.89 NAMPT (0.39) NAMPTDRD2WNT3A
SCHEMBL24891648 0.89 NAMPT (0.43) NAMPTWNT3A
SCHEMBL24892125 0.88 NAMPT (0.41) NAMPTWNT3A
SCHEMBL30182425 0.88 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 2 patents. 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
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