SCHEMBL8028517

SCHEMBL8028517

Cc1cn([C@@H]2O[C@H](COC(CN)C(=O)CCCCCN)[C@@H](O)[C@H]2O)c(=O)nc1N

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY6 Q15077 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ALDH1A1 P00352 2/20 0.36
HTT P42858 2/20 0.36
LMNA P02545 2/20 0.36
MTOR P42345 2/20 0.36
THRB P10828 1/20 0.36
MDM2 Q00987 1/20 0.36
NCOA1 Q15788 1/20 0.36
NCOA3 Q9Y6Q9 1/20 0.36
GMNN O75496 1/20 0.36
TP53 P04637 1/20 0.36
NFKB1 P19838 1/20 0.36
DNMT1 P26358 1/20 0.36
THPO P40225 1/20 0.36
RAB9A P51151 1/20 0.36
BLM P54132 1/20 0.36
HBB P68871 1/20 0.36
PMP22 Q01453 1/20 0.36
PRMT5 O14744 1/20 0.35

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
SCHEMBL7638345 0.85 DNMT1 (0.40) DNMT1
SCHEMBL21998920 0.77 ADK (0.52) P2RY6L3MBTL1ALDH1A1HTTLMNA
SCHEMBL1684799 0.77 ADK (0.52) P2RY6L3MBTL1ALDH1A1HTTLMNA
SCHEMBL234387 0.77 LMNA (0.46) P2RY6L3MBTL1ALDH1A1HTTLMNA
Hydrochloric Acid SCHEMBL11859227 0.77 L3MBTL1 (0.45) L3MBTL1LMNA
SCHEMBL16629487 0.77 LMNA (0.50) ALDH1A1HTTLMNAMTORTHRB
SCHEMBL21275623 0.77 LMNA (0.50) ALDH1A1HTTLMNAMTORTHRB
SCHEMBL24798428 0.75 LMNA (0.45) P2RY6L3MBTL1ALDH1A1HTTLMNA
SCHEMBL17748441 0.75 ADORA3 (0.53) P2RY6L3MBTL1ALDH1A1HTTLMNA
SCHEMBL382739 0.75 HINT1 (0.45) P2RY6L3MBTL1ALDH1A1HTTLMNA

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-0620864-B1 PROCESS FOR IMMOBILIZING NUCLEIC ACID PROBES ON POLYSTYRENE SURFACES CHIRON DIAGNOSTICS CORP (US) 2000-03-29 EP disclosed