SCHEMBL30182142

SCHEMBL30182142

CC(C)(C)OC(=O)NCc1ccc(NC(=O)c2ccc(C(=O)Nc3cnc(C4=CCN(C(=O)OC(C)(C)C)CC4)cn3)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
WNT3A P56704 1/20 0.48
NAMPT P43490 4/20 0.48
SMN1; SMN2 Q16637 3/20 0.43
HDAC1 Q13547 2/20 0.43
MEN1 O00255 1/20 0.43
CYP2C19 P33261 1/20 0.43
KMT2A Q03164 1/20 0.43
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
GRM1 Q13255 5/20 0.42
GRM5 P41594 4/20 0.42
KIT P10721 2/20 0.42
MAPT P10636 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
LMNA P02545 1/20 0.40
HDAC6 Q9UBN7 1/20 0.39

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
SCHEMBL24892019 0.90 WNT3A (0.49) WNT3ANAMPTGRM1GRM5KIT
SCHEMBL30182344 0.90 WNT3A (0.49) WNT3ANAMPTGRM1GRM5KIT
SCHEMBL24891676 0.90 WNT3A (0.49) WNT3ANAMPTGRM1GRM5KIT
SCHEMBL30182489 0.89 NAMPT (0.49) WNT3ANAMPTSMN1; SMN2HDAC1MEN1
SCHEMBL24892212 0.89 NAMPT (0.49) WNT3ANAMPTSMN1; SMN2HDAC1MEN1
SCHEMBL24891816 0.88 NAMPT (0.47) WNT3ANAMPTSMN1; SMN2HDAC1MEN1
SCHEMBL30182455 0.87 NAMPT (0.46) WNT3ANAMPTSMN1; SMN2HDAC1MEN1
SCHEMBL24892276 0.87 NAMPT (0.57) WNT3ANAMPTSMN1; SMN2HDAC1MEN1
SCHEMBL24670226 0.87 NAMPT (0.57) WNT3ANAMPTSMN1; SMN2HDAC1MEN1
SCHEMBL30182395 0.84 WNT3A (0.39) WNT3ANAMPTSMN1; SMN2HDAC1MEN1

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