SCHEMBL29803544

SCHEMBL29803544

CC(C)(C)OC(=O)/N=C(\NC(=O)OC(C)(C)C)N1CC=C(c2ccc(C(=O)Nc3ccc(C4=CCN(/C(=N/C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)CC4)c(F)c3)s2)CC1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.36
TRPV1 Q8NER1 6/20 0.36
WDR5 P61964 2/20 0.34
CDK9 P50750 2/20 0.34
MET P08581 1/20 0.33
KDR P35968 1/20 0.33
MST1R Q04912 1/20 0.33
JAK1 P23458 1/20 0.33
ESRRG P62508 2/20 0.33
PDK4 Q16654 1/20 0.33
PDE10A Q9Y233 1/20 0.32
MAPT P10636 1/20 0.32
KIT P10721 1/20 0.32
MCHR1 Q99705 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
SCHEMBL24669273 0.91 TRPV1 (0.31) NAMPTTRPV1WDR5
SCHEMBL29803333 0.91 TRPV1 (0.37) NAMPTTRPV1JAK1PDK4MAPT
SCHEMBL29803749 0.90 IMPDH2 (0.37) NAMPTTRPV1CDK9JAK1PDK4
SCHEMBL29803726 0.89 WDR5 (0.38) NAMPTWDR5CDK9JAK1PDK4
SCHEMBL29803193 0.88 NAMPT (0.40) NAMPTTRPV1WDR5CDK9JAK1
SCHEMBL29803457 0.88 NAMPT (0.47) NAMPTESRRG
SCHEMBL29803558 0.88 NAMPT (0.38) NAMPTTRPV1WDR5CDK9JAK1
SCHEMBL24669910 0.88 NAMPT (0.38) NAMPTTRPV1WDR5CDK9JAK1
SCHEMBL24670605 0.86 TRPV1 (0.38) NAMPTTRPV1WDR5
SCHEMBL29803445 0.86 TRPV1 (0.38) NAMPTTRPV1WDR5

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