SCHEMBL9546808

SCHEMBL9546808

CNC1CCN(C(=O)[C@@H](NC(=O)C(Cc2ccc(C3(C(C)(C)C)OCCO3)cc2)CC(O[Si](C)(C)C(C)(C)C)C(Cc2ccccc2)NC(=O)OC(C)(C)C)C(C)C)CC1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.42
MAPK1 P28482 1/20 0.38
MEN1 O00255 2/20 0.38
REN P00797 3/20 0.36
PSEN1 P49768 2/20 0.36
PSEN2 P49810 2/20 0.36
APH1B Q8WW43 2/20 0.36
NCSTN Q92542 2/20 0.36
APH1A Q96BI3 2/20 0.36
PSENEN Q9NZ42 2/20 0.36
APP P05067 1/20 0.36
CMA1 P23946 4/20 0.36
KLK5 Q9Y337 2/20 0.35
CCR1 P32246 1/20 0.34

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
SCHEMBL9546802 1.00 KMT2A (0.42) KMT2AMAPK1MEN1RENPSEN1
SCHEMBL9546813 1.00 KMT2A (0.42) KMT2AMAPK1MEN1RENPSEN1
SCHEMBL9546647 0.91 KMT2A (0.39) KMT2AMAPK1MEN1RENPSEN1
SCHEMBL9546659 0.91 KMT2A (0.39) KMT2AMAPK1MEN1RENPSEN1
SCHEMBL9546636 0.91 KMT2A (0.39) KMT2AMAPK1MEN1RENPSEN1
SCHEMBL9546677 0.88 KMT2A (0.43) KMT2AMAPK1MEN1PSEN1PSEN2
SCHEMBL9546685 0.88 KMT2A (0.43) KMT2AMAPK1MEN1PSEN1PSEN2
SCHEMBL9546694 0.88 KMT2A (0.43) KMT2AMAPK1MEN1PSEN1PSEN2
SCHEMBL9546494 0.85 KMT2A (0.47) KMT2AMAPK1MEN1RENPSEN1
SCHEMBL9546491 0.85 KMT2A (0.47) KMT2AMAPK1MEN1RENPSEN1

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