SCHEMBL24670494

SCHEMBL24670494

CC(C)(C)OC(=O)/N=C(/NC(=O)OC(C)(C)C)N1CC=C(c2ccc(NC(=O)c3cc(C4=CCN(/C(=N/C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)CC4)co3)cc2F)CC1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 7/20 0.38
MAPT P10636 3/20 0.33
LMNA P02545 2/20 0.33
HTT P42858 2/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.33
PRMT5 O14744 1/20 0.32
WDR77 Q9BQA1 1/20 0.32
WDR5 P61964 2/20 0.32
TRPV1 Q8NER1 2/20 0.32
JAK1 P23458 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
PDK4 Q16654 1/20 0.32
CDK9 P50750 1/20 0.32
WNT3A P56704 1/20 0.32
ERN1 O75460 1/20 0.32

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
SCHEMBL29803566 1.00 NAMPT (0.38) NAMPTMAPTLMNAHTTMEN1
SCHEMBL24669251 1.00 NAMPT (0.38) NAMPTMAPTLMNAHTTMEN1
SCHEMBL24670493 0.91 NAMPT (0.46) NAMPTWNT3A
SCHEMBL24670496 0.91 NAMPT (0.46) NAMPTWNT3A
SCHEMBL24669853 0.90 NAMPT (0.36) NAMPTMAPTALDH1A1CDK9WNT3A
SCHEMBL24669851 0.90 NAMPT (0.36) NAMPTMAPTALDH1A1CDK9WNT3A
SCHEMBL29803459 0.87 MAPKAPK2 (0.36) NAMPTMAPTLMNAHTTMEN1
SCHEMBL29803193 0.87 NAMPT (0.40) NAMPTMAPTWDR5TRPV1JAK1
SCHEMBL24670949 0.87 NAMPT (0.41) NAMPTMAPTLMNAHTTALDH1A1
SCHEMBL24670952 0.87 NAMPT (0.41) NAMPTMAPTLMNAHTTALDH1A1

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