SCHEMBL9546691

SCHEMBL9546691

CCNC1CCN(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 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.43
MAPK1 P28482 1/20 0.39
MEN1 O00255 3/20 0.38
KLK5 Q9Y337 2/20 0.36
CMA1 P23946 4/20 0.36
REN P00797 2/20 0.36
CCR1 P32246 1/20 0.35
PSEN1 P49768 2/20 0.35
PSEN2 P49810 2/20 0.35
APH1B Q8WW43 2/20 0.35
NCSTN Q92542 2/20 0.35
APH1A Q96BI3 2/20 0.35
PSENEN Q9NZ42 2/20 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
SCHEMBL9546701 1.00 KMT2A (0.43) KMT2AMAPK1MEN1KLK5CMA1
SCHEMBL9546687 1.00 KMT2A (0.43) KMT2AMAPK1MEN1KLK5CMA1
SCHEMBL9546775 0.94 KMT2A (0.43) KMT2AMAPK1MEN1KLK5CMA1
SCHEMBL9546768 0.94 KMT2A (0.43) KMT2AMAPK1MEN1KLK5CMA1
SCHEMBL9546780 0.94 KMT2A (0.43) KMT2AMAPK1MEN1KLK5CMA1
SCHEMBL9546522 0.90 KMT2A (0.45) KMT2AMAPK1MEN1KLK5REN
SCHEMBL9546514 0.90 KMT2A (0.45) KMT2AMAPK1MEN1KLK5REN
SCHEMBL9546530 0.90 KMT2A (0.45) KMT2AMAPK1MEN1KLK5REN
SCHEMBL9546798 0.90 KMT2A (0.40) KMT2AMAPK1KLK5CMA1REN
SCHEMBL9546663 0.90 KMT2A (0.46) KMT2AMAPK1MEN1KLK5REN

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