SCHEMBL24891972

SCHEMBL24891972

CC(C)(C)OC(=O)NCc1ccc(NC(=O)C23CCC(C(=O)Nc4ccc(C5=CCN(C(=O)OC(C)(C)C)CC5)cc4)(CC2)CC3)cc1F

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.51
TLR7 Q9NYK1 1/20 0.44
DGAT2 Q96PD7 1/20 0.43
WNT3A P56704 1/20 0.43
CDK7 P50613 1/20 0.41
CDK13 Q14004 1/20 0.41
CDK12 Q9NYV4 1/20 0.41
KIT P10721 5/20 0.41
MET P08581 1/20 0.40
GRM5 P41594 4/20 0.40
GRM1 Q13255 4/20 0.40
LIPC P11150 1/20 0.39
LIPG Q9Y5X9 1/20 0.39
BTK Q06187 2/20 0.38
CCNT1 O60563 1/20 0.38
CDK9 P50750 1/20 0.38

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
SCHEMBL30182359 1.00 NAMPT (0.51) NAMPTTLR7DGAT2WNT3ACDK7
SCHEMBL24891783 0.88 NAMPT (0.57) NAMPTDGAT2WNT3ACDK7CDK13
SCHEMBL24891865 0.85 NAMPT (0.55) NAMPTDGAT2WNT3ACDK7CDK13
SCHEMBL24891745 0.84 NAMPT (0.40) NAMPTTLR7DGAT2WNT3AKIT
SCHEMBL30182708 0.84 NAMPT (0.40) NAMPTTLR7DGAT2WNT3AKIT
SCHEMBL24891722 0.84 NAMPT (0.63) NAMPTWNT3ACDK7CDK13CDK12
SCHEMBL24892373 0.83 NAMPT (0.55) NAMPTDGAT2WNT3ACDK7CDK13
SCHEMBL24891670 0.83 NAMPT (0.57) NAMPTDGAT2WNT3ACDK7CDK13
SCHEMBL24891878 0.83 NAMPT (0.51) NAMPTDGAT2WNT3ACDK7CDK13
SCHEMBL24891715 0.82 NAMPT (0.45) NAMPTDGAT2WNT3AKITMET

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