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SCHEMBL24670448

SCHEMBL24670448

CC(C)(C)OC(=O)/N=C(/NCCc1ccc(NC(=O)c2cc(C3=CCN(/C(=N\C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)CC3)cs2)cc1)NC(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 15/20 0.40
▸ WNT3A P56704 1/20 0.35
▸ DRD2 P14416 1/20 0.34
▸ LEF1 Q9UJU2 1/20 0.33
▸ PTGER4 P35408 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33

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
SCHEMBL29803216 1.00 NAMPT (0.40) NAMPTWNT3ADRD2LEF1PTGER4
SCHEMBL29803791 0.97 NAMPT (0.38) NAMPTWNT3ADRD2LEF1PTGER4
SCHEMBL29803669 0.93 NAMPT (0.39) NAMPTWNT3ALEF1
SCHEMBL24669232 0.93 NAMPT (0.39) NAMPTWNT3ALEF1
SCHEMBL29803257 0.90 NAMPT (0.46) NAMPTWNT3ALEF1
SCHEMBL24669922 0.90 NAMPT (0.46) NAMPTWNT3ALEF1
SCHEMBL24670225 0.88 NAMPT (0.43) NAMPTWNT3ADRD2
SCHEMBL29803349 0.88 NAMPT (0.43) NAMPTWNT3ADRD2
SCHEMBL24669882 0.87 HDAC3 (0.41) NAMPTWNT3ADRD2CA1CA2
SCHEMBL29803354 0.87 HDAC3 (0.41) NAMPTWNT3ADRD2CA1CA2

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