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SCHEMBL20095486

SCHEMBL20095486

CCCC(C)(I)SC1CC(=O)N(C2(C(=O)NCCC(=O)Nc3cc(COC(=O)Nc4cccc(C(=O)N5CCC(CCCCNC(=O)/C=C/c6cccnc6)CC5)c4)ccc3OC3OC(C(=O)O)C(O)[C@H](O)[C@@H]3O)CNC2)C1=O

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 20/20 0.40
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ VHL P40337 6/20 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
SCHEMBL20095353 0.96 NAMPT (0.40) NAMPTCYP3A4CYP2C9VHL
SCHEMBL21470810 0.95 NAMPT (0.39) NAMPTCYP3A4CYP2C9VHL
SCHEMBL20095406 0.90 NAMPT (0.42) NAMPTCYP3A4CYP2C9VHL
SCHEMBL20095465 0.89 NAMPT (0.46) NAMPTCYP3A4CYP2C9VHL
SCHEMBL20095430 0.87 NAMPT (0.42) NAMPTCYP3A4CYP2C9VHL
SCHEMBL21470809 0.85 NAMPT (0.46) NAMPTCYP3A4CYP2C9VHL
SCHEMBL21470960 0.85 NAMPT (0.46) NAMPTCYP3A4CYP2C9VHL
SCHEMBL27025450 0.85 NAMPT (0.42) NAMPTCYP3A4CYP2C9VHL
SCHEMBL20095405 0.84 NAMPT (0.41) NAMPTCYP3A4CYP2C9VHL
SCHEMBL20095447 0.84 NAMPT (0.46) NAMPTCYP3A4CYP2C9VHL

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-2018075600-A1 TARGETED DELIVERY OF NICOTINAMIDE ADENINE DINUCLEOTIDE SALVAGE PATHWAY INHIBITORS SEATTLE GENETICS, INC. (US) 2018-04-26 — — WO disclosed