SCHEMBL6592296

SCHEMBL6592296

COC(=O)c1cn(C2C=CC(O[Si](C)(C)C(C)(C)C)C2)c2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 3/20 0.44
KMT2A Q03164 10/20 0.43
MEN1 O00255 3/20 0.43
ALDH1A1 P00352 4/20 0.41
GAA P10253 2/20 0.41
KDM4E B2RXH2 2/20 0.41
THRB P10828 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
POLB P06746 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
SCHEMBL6592297 1.00 NR4A2 (0.44) NR4A2KMT2AMEN1ALDH1A1GAA
SCHEMBL6587507 0.86 HTR3A (0.41) NR4A2
SCHEMBL6587504 0.86 HTR3A (0.41) NR4A2
SCHEMBL14440312 0.81 ICMT (0.40) KDM4ELMNAL3MBTL1POLB
SCHEMBL6588982 0.80 HTR3A (0.51) NR4A2KMT2AMEN1ALDH1A1GAA
SCHEMBL6588979 0.80 HTR3A (0.51) NR4A2KMT2AMEN1ALDH1A1GAA
SCHEMBL6592321 0.69 HTR3A (0.48) KMT2AMEN1ALDH1A1GAAKDM4E
SCHEMBL6592314 0.69 HTR3A (0.48) KMT2AMEN1ALDH1A1GAAKDM4E
SCHEMBL14440313 0.68 CAMK2D (0.39)
SCHEMBL7655177 0.68 HTR3A (0.44) NR4A2KMT2AMEN1ALDH1A1GAA

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