SCHEMBL30180918

SCHEMBL30180918

N=C(N)NCc1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(C4=CCN(C(=N)N)CC4)nn3)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TMPRSS2 O15393 6/20 0.40
F2 P00734 1/20 0.36
NAMPT P43490 6/20 0.35
GAA P10253 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
BTK Q06187 2/20 0.34

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
SCHEMBL30180922 0.88 WNT3A (0.34) NAMPTNPC1RAB9AKDM4EMEN1
SCHEMBL24891674 0.88 WNT3A (0.34) NAMPTNPC1RAB9AKDM4EMEN1
SCHEMBL30180862 0.88 WNT3A (0.33) TMPRSS2NAMPTNPC1RAB9AKDM4E
SCHEMBL30180909 0.87 TMPRSS2 (0.39) TMPRSS2F2NAMPTJAK2JAK1
SCHEMBL24891885 0.86 TMPRSS2 (0.45) TMPRSS2F2NAMPTNPC1RAB9A
SCHEMBL24669387 0.86 TMPRSS2 (0.45) TMPRSS2F2NAMPTNPC1RAB9A
SCHEMBL24891672 0.85 NAMPT (0.43) TMPRSS2NAMPTBTK
SCHEMBL30181035 0.85 NAMPT (0.43) TMPRSS2NAMPTBTK
SCHEMBL24891727 0.84 WNT3A (0.34) TMPRSS2NAMPT
SCHEMBL24891721 0.82 NAMPT (0.31) 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 2 patents. 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 claimed
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