SCHEMBL4472084

SCHEMBL4472084

CC1(C)COC(c2ccc(C3=NC(C)(C)CO3)c(C3=NC(C)(C)CO3)c2)=N1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.52
LMNA P02545 1/20 0.52
MAPT P10636 1/20 0.52
KDM4E B2RXH2 1/20 0.49
IL2 P60568 1/20 0.46
HRH3 Q9Y5N1 4/20 0.45
CYP2D6 P10635 1/20 0.45
ATM Q13315 2/20 0.37
ALDH1A1 P00352 1/20 0.37
ROCK1 Q13464 1/20 0.34
TYK2 P29597 1/20 0.34

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
SCHEMBL14743593 0.85 HTT (0.49) HTTLMNAMAPTKDM4EIL2
SCHEMBL14743510 0.85 HTT (0.49) HTTLMNAMAPTKDM4EIL2
SCHEMBL471858 0.83 KDM4E (0.60) HTTLMNAMAPTKDM4EIL2
SCHEMBL20411007 0.82 HRH3 (0.54) HTTLMNAMAPTKDM4EIL2
SCHEMBL19379609 0.81 KDM4E (0.47) HTTLMNAMAPTKDM4EIL2
SCHEMBL471881 0.80 KDM4E (0.62) HTTLMNAMAPTKDM4EIL2
SCHEMBL20409590 0.80 KDM4E (0.53) HTTLMNAMAPTKDM4EIL2
SCHEMBL9368268 0.80 MAPT (0.50) HTTLMNAMAPTKDM4EHRH3
SCHEMBL19379596 0.80 LMNA (0.44) HTTLMNAMAPTKDM4EIL2
SCHEMBL18380643 0.80 KDM4E (0.61) HTTLMNAMAPTKDM4EHRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1592741-B1 STABILIZATION OF THERMOPLASTIC NANOCOMPOSITES CIBA HOLDING INC (CH) 2009-01-14 EP disclosed
EP-1592741-A1 STABILIZATION OF THERMOPLASTIC NANOCOMPOSITES Ciba SC Holding AG (CH) 2005-11-09 EP disclosed
WO-2004063268-A1 STABILIZATION OF THERMOPLASTIC NANOCOMPOSITES CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2004-07-29 WO disclosed
EP-0785967-B1 INCREASING THE MOLECULAR WEIGHT OF POLYCONDENSATES CIBA SC HOLDING AG (CH) 2002-01-09 EP disclosed
US-5807932-A USING A HYDROXYPHENYLALKYLPHOSPHORIC ESTER CIBA SPECIALTY CHEMICALS CORPORATION (US) 1998-09-15 US disclosed
EP-0785967-A1 INCREASING THE MOLECULAR WEIGHT OF POLYCONDENSATES Ciba SC Holding AG (CH) 1997-07-30 EP disclosed
WO-1996011978-A1 INCREASING THE MOLECULAR WEIGHT OF POLYCONDENSATES CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 1996-04-25 WO disclosed