SCHEMBL6588979

SCHEMBL6588979

COC(=O)c1cn(C2CCC(O[Si](C)(C)C(C)(C)C)C2)c2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 8/20 0.51
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
NR4A2 P43354 3/20 0.44
ALDH1A1 P00352 2/20 0.41
GAA P10253 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 1/20 0.41
THRB P10828 1/20 0.41
LMNA P02545 2/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL6588982 1.00 HTR3A (0.51) HTR3AKMT2AMEN1NR4A2ALDH1A1
SCHEMBL6592314 0.90 HTR3A (0.48) HTR3AKMT2AMEN1ALDH1A1GAA
SCHEMBL6592321 0.90 HTR3A (0.48) HTR3AKMT2AMEN1ALDH1A1GAA
SCHEMBL6588847 0.86 HTR3A (0.54) HTR3A
SCHEMBL6588840 0.86 HTR3A (0.54) HTR3A
SCHEMBL20604757 0.81 HTR3A (0.37) HTR3A
SCHEMBL6592296 0.80 NR4A2 (0.44) KMT2AMEN1NR4A2ALDH1A1GAA
SCHEMBL6592297 0.80 NR4A2 (0.44) KMT2AMEN1NR4A2ALDH1A1GAA
SCHEMBL6591034 0.79 HTR3A (0.39) HTR3AKMT2AMEN1NR4A2
SCHEMBL7661179 0.79 HTR3A (0.39) HTR3AKMT2AMEN1NR4A2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1183252-B1 PHARMACEUTICALLY ACTIVE COMPOUNDS ASTRAZENECA AB (SE) 2004-02-18 EP disclosed
US-6492406-B1 PROTEIN KINASE C INHIBITORS; ANTIINFLAMMATORY AND IMMUNO-SUPPRESSIVE AGENTS ASTRAZENECA AB (SE) 2002-12-10 US disclosed