SCHEMBL24670210

SCHEMBL24670210

Cc1cc(C2=CCN(C(=NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)CC2)ccc1C(=O)Nc1ccc2c(c1)CN(C(=NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)CC2

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 14/20 0.44
TMPRSS2 O15393 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
KDM4E B2RXH2 1/20 0.36
PRMT5 O14744 1/20 0.35
WDR77 Q9BQA1 1/20 0.35

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
SCHEMBL29803469 1.00 NAMPT (0.44) NAMPTTMPRSS2NPC1RAB9AKDM4E
SCHEMBL29803348 0.97 NAMPT (0.46) NAMPTTMPRSS2
SCHEMBL24670218 0.96 NAMPT (0.46) NAMPTTMPRSS2
SCHEMBL24670217 0.96 NAMPT (0.46) NAMPTTMPRSS2
SCHEMBL29803623 0.92 NAMPT (0.47) NAMPTTMPRSS2NPC1RAB9AKDM4E
SCHEMBL29803599 0.89 NAMPT (0.41) NAMPTKDM4EPRMT5WDR77
SCHEMBL24670614 0.89 NAMPT (0.40) NAMPTTMPRSS2PRMT5WDR77
SCHEMBL24891728 0.88 NAMPT (0.46) NAMPTNPC1RAB9AKDM4E
SCHEMBL24670876 0.88 NAMPT (0.41) NAMPTTMPRSS2
SCHEMBL24669413 0.88 NAMPT (0.49) NAMPTTMPRSS2

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