Sugi Predict

Sugi Predict / Compounds / SCHEMBL24670524

SCHEMBL24670524

SCHEMBL24670524

Cc1sc(C(=O)Nc2ccc(C3=CCN(C(=NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)CC3)cc2)cc1C1=CCN(C(=NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)CC1

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 18/20 0.45
▸ WNT3A P56704 1/20 0.35
▸ PDE10A Q9Y233 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
SCHEMBL29803650 1.00 NAMPT (0.45) NAMPTWNT3APDE10A
SCHEMBL29803257 0.87 NAMPT (0.46) NAMPTWNT3A
SCHEMBL24669922 0.87 NAMPT (0.46) NAMPTWNT3A
SCHEMBL29803457 0.86 NAMPT (0.47) NAMPT
SCHEMBL29803342 0.85 NAMPT (0.47) NAMPT
SCHEMBL24670478 0.85 NAMPT (0.47) NAMPT
SCHEMBL29803797 0.85 NAMPT (0.47) NAMPT
SCHEMBL29803723 0.85 NAMPT (0.45) NAMPTWNT3A
SCHEMBL24669916 0.84 NAMPT (0.59) NAMPTWNT3APDE10A
SCHEMBL24891728 0.84 NAMPT (0.46) 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-2022192162-A1 NOVEL HETEROAROMATIC COMPOUNDS EXHIBITING ANTIFUNGAL ACTIVITY AND THEIR METHOD OF USE FOX CHASE CHEMICAL DIVERSITY CENTER, INC. (US) 2022-09-15 — — WO disclosed