SCHEMBL9546845

SCHEMBL9546845

CCN(C(=O)OCc1ccccc1)C1CCN(C(=O)[C@@H](NC(=O)C(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 3/20 0.43
CCR5 P51681 5/20 0.40
CCR1 P32246 1/20 0.39
MAPK1 P28482 1/20 0.39
PSEN1 P49768 3/20 0.38
PSEN2 P49810 3/20 0.38
APH1B Q8WW43 3/20 0.38
NCSTN Q92542 3/20 0.38
APH1A Q96BI3 3/20 0.38
PSENEN Q9NZ42 3/20 0.38
APP P05067 1/20 0.38
MEN1 O00255 1/20 0.38
CMA1 P23946 2/20 0.38
KLK5 Q9Y337 1/20 0.38
CTSL P07711 1/20 0.36

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
SCHEMBL9546842 1.00 KMT2A (0.43) KMT2ACCR5CCR1MAPK1PSEN1
SCHEMBL9546847 1.00 KMT2A (0.43) KMT2ACCR5CCR1MAPK1PSEN1
SCHEMBL9546535 0.92 KMT2A (0.43) KMT2ACCR1MAPK1PSEN1PSEN2
SCHEMBL9546541 0.92 KMT2A (0.43) KMT2ACCR1MAPK1PSEN1PSEN2
SCHEMBL9546622 0.89 PSEN1 (0.49) KMT2ACCR5CCR1MAPK1PSEN1
SCHEMBL9546605 0.89 PSEN1 (0.49) KMT2ACCR5CCR1MAPK1PSEN1
SCHEMBL9546613 0.89 PSEN1 (0.49) KMT2ACCR5CCR1MAPK1PSEN1
SCHEMBL9546598 0.89 PSEN1 (0.49) KMT2ACCR5CCR1MAPK1PSEN1
SCHEMBL9546491 0.89 KMT2A (0.47) KMT2AMAPK1PSEN1PSEN2APH1B
SCHEMBL9546494 0.89 KMT2A (0.47) KMT2AMAPK1PSEN1PSEN2APH1B

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