SCHEMBL24892192

SCHEMBL24892192

CC(C)(C)OC(=O)NCc1ccc(NC(=O)C23CCC(C(=O)Nc4ccc(C5=CCN(C(=O)OC(C)(C)C)CC5)cc4)(CC2)CC3)nc1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 9/20 0.51
WNT3A P56704 2/20 0.48
KIT P10721 2/20 0.43
CDK7 P50613 1/20 0.43
CDK13 Q14004 1/20 0.43
CDK12 Q9NYV4 1/20 0.43
HDAC1 Q13547 1/20 0.42
DGAT2 Q96PD7 1/20 0.41
GRM5 P41594 1/20 0.41
GRM1 Q13255 1/20 0.41
LIPC P11150 1/20 0.41
LIPG Q9Y5X9 1/20 0.41

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
SCHEMBL24891783 0.92 NAMPT (0.57) NAMPTWNT3AKITCDK7CDK13
SCHEMBL24891865 0.88 NAMPT (0.55) NAMPTWNT3AKITCDK7CDK13
SCHEMBL24892019 0.88 WNT3A (0.49) NAMPTWNT3AKITDGAT2GRM5
SCHEMBL24891878 0.88 NAMPT (0.51) NAMPTWNT3AKITCDK7CDK13
SCHEMBL24891670 0.86 NAMPT (0.57) NAMPTWNT3AKITCDK7CDK13
SCHEMBL24892050 0.86 WNT3A (0.46) NAMPTWNT3AKITDGAT2GRM5
SCHEMBL30182151 0.86 WNT3A (0.46) NAMPTWNT3AKITDGAT2GRM5
SCHEMBL24892212 0.86 NAMPT (0.49) NAMPTWNT3AKITCDK7CDK13
SCHEMBL30182489 0.86 NAMPT (0.49) NAMPTWNT3AKITCDK7CDK13
SCHEMBL24892373 0.85 NAMPT (0.55) NAMPTWNT3AKITCDK7CDK13

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-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
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