SCHEMBL24670952

SCHEMBL24670952

CC(C)(C)OC(=O)N=C(NC(=O)OC(C)(C)C)N1CC=C(c2ccc(C(=O)Nc3ccc(C4=CCN(C(=NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)CC4)c(F)c3)c(F)c2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 11/20 0.41
CCNT1 O60563 1/20 0.36
CDK9 P50750 1/20 0.36
WDR5 P61964 3/20 0.35
PRMT5 O14744 2/20 0.34
WDR77 Q9BQA1 2/20 0.34
MAPT P10636 2/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
CASP3 P42574 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33

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
SCHEMBL24670949 1.00 NAMPT (0.41) NAMPTCCNT1CDK9WDR5PRMT5
SCHEMBL24671356 0.94 NAMPT (0.40) NAMPTWDR5PRMT5WDR77MAPT
SCHEMBL29803446 0.94 NAMPT (0.40) NAMPTWDR5PRMT5WDR77MAPT
SCHEMBL24671289 0.94 NAMPT (0.40) NAMPTWDR5PRMT5WDR77MAPT
SCHEMBL29803520 0.93 NAMPT (0.39) NAMPTCCNT1CDK9WDR5PRMT5
SCHEMBL29803351 0.93 NAMPT (0.39) NAMPTCCNT1CDK9WDR5PRMT5
SCHEMBL24670300 0.93 NAMPT (0.39) NAMPTCCNT1CDK9WDR5PRMT5
SCHEMBL24669509 0.93 NAMPT (0.39) NAMPTCCNT1CDK9WDR5PRMT5
SCHEMBL24670307 0.93 WDR5 (0.41) NAMPTWDR5
SCHEMBL24671257 0.93 NAMPT (0.39) NAMPTCCNT1CDK9PRMT5WDR77

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-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
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