SCHEMBL29803471

SCHEMBL29803471

Cc1cc(C2=CCN(/C(=N/C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)CC2)ccc1C(=O)Nc1ccc(C2CN(/C(=N/C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)C2)cc1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 19/20 0.43
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GLA P06280 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
MCL1 Q07820 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
SCHEMBL24891728 0.89 NAMPT (0.46) NAMPTKDM4EALDH1A1GLAMAPT
SCHEMBL29803678 0.88 NAMPT (0.42) NAMPTKDM4EALDH1A1GLAMAPT
SCHEMBL24669300 0.88 NAMPT (0.42) NAMPTKDM4EALDH1A1GLAMAPT
SCHEMBL29803599 0.87 NAMPT (0.41) NAMPTKDM4EALDH1A1GLAMAPT
SCHEMBL24670218 0.87 NAMPT (0.46) NAMPT
SCHEMBL24670217 0.87 NAMPT (0.46) NAMPT
SCHEMBL29803536 0.86 NAMPT (0.40) NAMPTMAPT
SCHEMBL29803469 0.86 NAMPT (0.44) NAMPTKDM4E
SCHEMBL24670210 0.86 NAMPT (0.44) NAMPTKDM4E
SCHEMBL29803348 0.86 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