SCHEMBL24671335

SCHEMBL24671335

CC(C)(C)OC(=O)/N=C(\NCCOc1ccc(NC(=O)c2ccc(C3=CCN(/C(=N/C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)CC3)s2)cc1)NC(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.37
NAMPT P43490 8/20 0.37
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
SLC2A1 P11166 1/20 0.32
GPR119 Q8TDV5 1/20 0.32
PDE10A Q9Y233 1/20 0.32
TP53 P04637 1/20 0.32
ACKR3 P25106 1/20 0.32
KIT P10721 1/20 0.31

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
SCHEMBL29803846 1.00 MAPT (0.37) MAPTNAMPTKDM4ELMNASMN1; SMN2
SCHEMBL29803497 0.90 NAMPT (0.37) MAPTNAMPTKDM4ELMNASMN1; SMN2
SCHEMBL24670917 0.88 NAMPT (0.42) MAPTNAMPTKDM4ELMNASMN1; SMN2
SCHEMBL24671548 0.88 NAMPT (0.39) MAPTNAMPTKDM4ELMNASMN1; SMN2
SCHEMBL24669483 0.88 NAMPT (0.42) MAPTNAMPTKDM4ELMNASMN1; SMN2
SCHEMBL29803457 0.88 NAMPT (0.47) NAMPTKDM4ELMNASMN1; SMN2
SCHEMBL24669283 0.84 NAMPT (0.45) MAPTNAMPTKDM4ELMNASMN1; SMN2
SCHEMBL29803544 0.80 NAMPT (0.36) MAPTNAMPTPDE10AKIT
SCHEMBL29803333 0.80 TRPV1 (0.37) MAPTNAMPTLMNASMN1; SMN2
SCHEMBL29803749 0.80 IMPDH2 (0.37) NAMPTKDM4ELMNASMN1; SMN2PDE10A

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