SCHEMBL9546646

SCHEMBL9546646

CC(C)C(NC(=O)C(Cc1ccccc1)CC(O[Si](C)(C)C(C)(C)C)C(Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N1CCC(CNC(=O)OCc2ccccc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.44
ATM Q13315 2/20 0.43
MEN1 O00255 2/20 0.43
CCR1 P32246 1/20 0.42
CMA1 P23946 1/20 0.41
MAPK1 P28482 1/20 0.40
ITGB3 P05106 1/20 0.40
ITGA2B P08514 1/20 0.40
MAPT P10636 1/20 0.39
REN P00797 2/20 0.39
KLK5 Q9Y337 1/20 0.39
APP P05067 1/20 0.38
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
APH1B Q8WW43 1/20 0.38
NCSTN Q92542 1/20 0.38
APH1A Q96BI3 1/20 0.38
PSENEN Q9NZ42 1/20 0.38
CAPN1 P07384 1/20 0.38

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
SCHEMBL9546627 1.00 KMT2A (0.44) KMT2AATMMEN1CCR1CMA1
SCHEMBL9546619 0.91 KMT2A (0.45) KMT2AMEN1CCR1CMA1MAPK1
SCHEMBL9546629 0.91 KMT2A (0.45) KMT2AMEN1CCR1CMA1MAPK1
SCHEMBL9546638 0.91 KMT2A (0.45) KMT2AMEN1CCR1CMA1MAPK1
SCHEMBL9546541 0.88 KMT2A (0.43) KMT2AMEN1CCR1CMA1MAPK1
SCHEMBL9546535 0.88 KMT2A (0.43) KMT2AMEN1CCR1CMA1MAPK1
SCHEMBL9546847 0.87 KMT2A (0.43) KMT2AMEN1CCR1CMA1MAPK1
SCHEMBL9546842 0.87 KMT2A (0.43) KMT2AMEN1CCR1CMA1MAPK1
SCHEMBL9546845 0.87 KMT2A (0.43) KMT2AMEN1CCR1CMA1MAPK1
SCHEMBL9546745 0.87 KMT2A (0.47) KMT2AMEN1CMA1MAPK1REN

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