SCHEMBL24670345

SCHEMBL24670345

CC(C)(C)OC(=O)/N=C(/NCc1ccc(NC(=O)c2ccc(C3=CCN(/C(=N\C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)CC3)o2)cc1)NC(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 11/20 0.40
HDAC1 Q13547 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
MAPT P10636 3/20 0.35
TDP1 Q9NUW8 2/20 0.35
TP53 P04637 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
POLB P06746 1/20 0.34
WNT3A P56704 1/20 0.34
DRD2 P14416 1/20 0.33
KIT P10721 1/20 0.33
XBP1 P17861 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
GPR55 Q9Y2T6 1/20 0.33

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
SCHEMBL24669206 0.93 NAMPT (0.41) NAMPTMAPTTP53MEN1KMT2A
SCHEMBL29803504 0.93 NAMPT (0.41) NAMPTMAPTTP53MEN1KMT2A
SCHEMBL24669204 0.93 NAMPT (0.41) NAMPTMAPTTP53MEN1KMT2A
SCHEMBL24669388 0.88 NAMPT (0.44) NAMPTHDAC1HDAC6MAPTTDP1
SCHEMBL30182331 0.88 NAMPT (0.44) NAMPTHDAC1HDAC6MAPTTDP1
SCHEMBL24669386 0.88 NAMPT (0.44) NAMPTHDAC1HDAC6MAPTTDP1
SCHEMBL24891827 0.86 NAMPT (0.42) NAMPTHDAC1HDAC6MAPTTDP1
SCHEMBL30182197 0.86 NAMPT (0.42) NAMPTHDAC1HDAC6MAPTTDP1
SCHEMBL24671548 0.86 NAMPT (0.39) NAMPTHDAC1HDAC6MAPTTDP1
SCHEMBL24891771 0.85 NAMPT (0.44) NAMPTWNT3AKIT

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-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
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