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SCHEMBL9546754

SCHEMBL9546754

CC(C)C(NC(=O)C(Cc1ccc(-c2ccncc2)cc1)CC(O[Si](C)(C)C(C)(C)C)C(Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N1CCC(=O)CC1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 16/20 0.41
▸ KMT2A Q03164 1/20 0.40
▸ APP P05067 1/20 0.39
▸ PSEN1 P49768 1/20 0.39
▸ PSEN2 P49810 1/20 0.39
▸ APH1B Q8WW43 1/20 0.39
▸ NCSTN Q92542 1/20 0.39
▸ APH1A Q96BI3 1/20 0.39
▸ PSENEN Q9NZ42 1/20 0.39
▸ KLK5 Q9Y337 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
SCHEMBL9546732 1.00 BACE1 (0.41) BACE1KMT2AAPPPSEN1PSEN2
SCHEMBL9546744 1.00 BACE1 (0.41) BACE1KMT2AAPPPSEN1PSEN2
SCHEMBL9546715 0.92 KMT2A (0.42) BACE1KMT2AAPPPSEN1PSEN2
SCHEMBL9546698 0.92 KMT2A (0.42) BACE1KMT2AAPPPSEN1PSEN2
SCHEMBL9546707 0.92 KMT2A (0.42) BACE1KMT2AAPPPSEN1PSEN2
SCHEMBL9546694 0.90 KMT2A (0.43) BACE1KMT2AAPPPSEN1PSEN2
SCHEMBL9546677 0.90 KMT2A (0.43) BACE1KMT2AAPPPSEN1PSEN2
SCHEMBL9546685 0.90 KMT2A (0.43) BACE1KMT2AAPPPSEN1PSEN2
SCHEMBL9546736 0.89 P2RX7 (0.40) BACE1KMT2AAPPPSEN1PSEN2
SCHEMBL9546747 0.89 P2RX7 (0.40) BACE1KMT2AAPPPSEN1PSEN2

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