SCHEMBL30180876

SCHEMBL30180876

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

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 18/20 0.39
WNT3A P56704 1/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL24891765 1.00 NAMPT (0.39) NAMPTWNT3ANPC1ALDH1A1ALOX15
SCHEMBL24891740 0.91 NPC1 (0.41) NAMPTNPC1ALDH1A1ALOX15TSHR
Hydrochloric Acid SCHEMBL30182348 0.90 NPC1 (0.41) NAMPTNPC1ALDH1A1ALOX15TSHR
SCHEMBL24891713 0.87 NPC1 (0.40) NAMPTNPC1ALDH1A1ALOX15TSHR
SCHEMBL30180901 0.87 WNT3A (0.38) NAMPTWNT3A
SCHEMBL24891824 0.87 WNT3A (0.38) NAMPTWNT3A
SCHEMBL30181109 0.87 NAMPT (0.39) NAMPTWNT3ANPC1ALDH1A1ALOX15
SCHEMBL24892130 0.87 NAMPT (0.39) NAMPTWNT3ANPC1ALDH1A1ALOX15
SCHEMBL24891674 0.85 WNT3A (0.34) NAMPTWNT3ANPC1ALDH1A1ALOX15
SCHEMBL30180922 0.85 WNT3A (0.34) NAMPTWNT3ANPC1ALDH1A1ALOX15

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 claimed
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