SCHEMBL24891721

SCHEMBL24891721

N=C(N)NCc1ccc(NC(=O)C23CC(C2)[C@H](C(=O)Nc2ccc(C4=CCN(C(=N)N)CC4)nn2)C3)cc1

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 4/20 0.31
WNT3A P56704 1/20 0.30
EPHX2 P34913 1/20 0.30
TP53 P04637 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL24891674 0.87 WNT3A (0.34) NAMPTWNT3ATP53MAPT
SCHEMBL30180862 0.87 WNT3A (0.33) NAMPTWNT3ATP53MAPT
SCHEMBL30180922 0.87 WNT3A (0.34) NAMPTWNT3ATP53MAPT
SCHEMBL30180918 0.82 TMPRSS2 (0.40) NAMPT
SCHEMBL24892060 0.82 MAPT (0.33) EPHX2TP53MAPT
SCHEMBL24892285 0.81 MAPT (0.34) NAMPTMAPT
SCHEMBL24891727 0.79 WNT3A (0.34) NAMPTWNT3ATP53MAPT
SCHEMBL24892076 0.76 WNT3A (0.36) NAMPTWNT3ATP53MAPT
SCHEMBL24891824 0.76 WNT3A (0.38) NAMPTWNT3ATP53MAPT
SCHEMBL30180901 0.76 WNT3A (0.38) NAMPTWNT3ATP53MAPT

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