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SCHEMBL9546775

SCHEMBL9546775

CNC1CCN(C(=O)[C@@H](NC(=O)C(CC=Cc2ccccc2)CC(O[Si](C)(C)C(C)(C)C)C(Cc2ccccc2)NC(=O)OC(C)(C)C)C(C)C)CC1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.43
▸ MAPK1 P28482 1/20 0.40
▸ MEN1 O00255 3/20 0.37
▸ CMA1 P23946 6/20 0.37
▸ KLK5 Q9Y337 2/20 0.37
▸ REN P00797 2/20 0.36
▸ CCR1 P32246 1/20 0.35
▸ ATM Q13315 1/20 0.35
▸ BACE1 P56817 2/20 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
SCHEMBL9546780 1.00 KMT2A (0.43) KMT2AMAPK1MEN1CMA1KLK5
SCHEMBL9546768 1.00 KMT2A (0.43) KMT2AMAPK1MEN1CMA1KLK5
SCHEMBL9546522 0.94 KMT2A (0.45) KMT2AMAPK1MEN1KLK5REN
SCHEMBL9546514 0.94 KMT2A (0.45) KMT2AMAPK1MEN1KLK5REN
SCHEMBL9546530 0.94 KMT2A (0.45) KMT2AMAPK1MEN1KLK5REN
SCHEMBL9546691 0.94 KMT2A (0.43) KMT2AMAPK1MEN1CMA1KLK5
SCHEMBL9546687 0.94 KMT2A (0.43) KMT2AMAPK1MEN1CMA1KLK5
SCHEMBL9546701 0.94 KMT2A (0.43) KMT2AMAPK1MEN1CMA1KLK5
SCHEMBL9546798 0.90 KMT2A (0.40) KMT2AMAPK1CMA1KLK5REN
SCHEMBL9546564 0.89 KMT2A (0.47) KMT2AMAPK1KLK5RENBACE1

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-1993023373-A1 N-[N'-(5-AMINO-4-HYDROXY-ACYLOYL)-α-AMINOACYLOYL] SUBSTITUTED HETEROCYCLES AND THEIR USE AS ANTIVIRAL AGENTS PFIZER LIMITED (GB) 1993-11-25 — — WO disclosed