SCHEMBL24891728

SCHEMBL24891728

Cc1ccc(C(=O)Nc2ccc(C3=CCN(/C(=N\C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)CC3)cc2)c(C)c1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 15/20 0.46
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GLA P06280 1/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.43
MCL1 Q07820 1/20 0.43
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL24669300 0.91 NAMPT (0.42) NAMPTKDM4EALDH1A1GLAMAPT
SCHEMBL29803678 0.91 NAMPT (0.42) NAMPTKDM4EALDH1A1GLAMAPT
SCHEMBL29803599 0.90 NAMPT (0.41) NAMPTKDM4EALDH1A1GLAMAPT
SCHEMBL29803471 0.89 NAMPT (0.43) NAMPTKDM4EALDH1A1GLAMAPT
SCHEMBL24670218 0.89 NAMPT (0.46) NAMPT
SCHEMBL24670217 0.89 NAMPT (0.46) NAMPT
SCHEMBL29803536 0.88 NAMPT (0.40) NAMPTMAPT
SCHEMBL24670210 0.88 NAMPT (0.44) NAMPTKDM4ENPC1RAB9A
SCHEMBL29803469 0.88 NAMPT (0.44) NAMPTKDM4ENPC1RAB9A
SCHEMBL29803348 0.88 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-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