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Sugi Predict / Compounds / SCHEMBL24670307

SCHEMBL24670307

SCHEMBL24670307

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

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ WDR5 P61964 13/20 0.41
▸ NAMPT P43490 2/20 0.39
▸ TRPV1 Q8NER1 4/20 0.37
▸ SOS1 Q07889 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
SCHEMBL29803297 1.00 WDR5 (0.41) WDR5NAMPTTRPV1SOS1
SCHEMBL24670309 1.00 WDR5 (0.41) WDR5NAMPTTRPV1SOS1
SCHEMBL24671214 0.93 TRPV1 (0.39) WDR5NAMPTTRPV1SOS1
SCHEMBL29803513 0.93 TRPV1 (0.39) WDR5NAMPTTRPV1SOS1
SCHEMBL24670952 0.93 NAMPT (0.41) WDR5NAMPT
SCHEMBL24670949 0.93 NAMPT (0.41) WDR5NAMPT
SCHEMBL24671356 0.91 NAMPT (0.40) WDR5NAMPTTRPV1SOS1
SCHEMBL29803446 0.91 NAMPT (0.40) WDR5NAMPTTRPV1SOS1
SCHEMBL24671289 0.91 NAMPT (0.40) WDR5NAMPTTRPV1SOS1
SCHEMBL24670301 0.90 NAMPT (0.39) WDR5NAMPT

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