SCHEMBL29540091

SCHEMBL29540091

CSSC(CCC(NC(=O)OC(C)(C)C)C(=O)OC1COC(n2cnc3c(N)ncnc32)C1O)CNC(=O)OCc1ccccc1N=[N+]=[N-]

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ DOT1L Q8TEK3 6/20 0.37
▸ KLK7 P49862 4/20 0.37
▸ KLK5 Q9Y337 3/20 0.36
▸ PLA2G2A P14555 1/20 0.34
▸ NPEPPS P55786 2/20 0.34
▸ AHCY P23526 2/20 0.33
▸ MARS1 P56192 1/20 0.33
▸ PRKACA P17612 1/20 0.32
▸ HSP90AA1 P07900 1/20 0.32
▸ HSP90B1 P14625 1/20 0.32
▸ CHAT P28329 1/20 0.32

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
SCHEMBL30744295 0.90 KLK7 (0.46) DOT1LKLK7KLK5PLA2G2AAHCY
SCHEMBL16287975 0.80 CHAT (0.40) CHAT
SCHEMBL16287982 0.80 CHAT (0.40) CHAT
SCHEMBL16288001 0.80 CHAT (0.40) CHAT
SCHEMBL27222172 0.80 CHAT (0.40) CHAT
SCHEMBL17991817 0.80 CHAT (0.40) CHAT
SCHEMBL16287990 0.80 CHAT (0.40) CHAT
SCHEMBL30744230 0.79 DOT1L (0.46) DOT1LPLA2G2AAHCYMARS1PRKACA
SCHEMBL16574734 0.79 CHAT (0.36) CHAT
SCHEMBL23056445 0.77 CACNA1B (0.36) KLK7KLK5

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
EP-3974563-A1 CYCLIC PEPTIDES Chugai Seiyaku Kabushiki Kaisha (JP) 2022-03-30 — — EP disclosed
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