SCHEMBL24892285

SCHEMBL24892285

N=C(N)NCc1ccc(NC(=O)C23CC(C2)C(C(=O)Nc2ccc(C4=CCN(C(=N)N)CC4)cc2F)C3)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34
CASP3 P42574 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 1/20 0.34
NAMPT P43490 7/20 0.34
MMP2 P08253 3/20 0.32
KIT P10721 3/20 0.32
ADAM10 O14672 2/20 0.32
MMP9 P14780 2/20 0.32
MMP3 P08254 1/20 0.32
BTK Q06187 1/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL30181237 0.88 MAPT (0.38) MAPTNPC1ALDH1A1HPGDALOX15
SCHEMBL24892060 0.87 MAPT (0.33) MAPTBTKF10
SCHEMBL24891721 0.81 NAMPT (0.31) MAPTNAMPT
SCHEMBL24891740 0.80 NPC1 (0.41) MAPTNPC1ALDH1A1HPGDALOX15
SCHEMBL24891781 0.80 NPC1 (0.41) MAPTNPC1ALDH1A1HPGDALOX15
Hydrochloric Acid SCHEMBL30182348 0.79 NPC1 (0.41) MAPTNPC1ALDH1A1HPGDALOX15
SCHEMBL24891713 0.78 NPC1 (0.40) MAPTNPC1ALDH1A1HPGDALOX15
SCHEMBL24891871 0.78 NAMPT (0.35) NAMPTKIT
SCHEMBL24892101 0.76 BTK (0.41) MAPTNPC1ALDH1A1HPGDALOX15
SCHEMBL30181071 0.76 MAPT (0.37) MAPTNPC1ALDH1A1HPGDALOX15

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