SCHEMBL4462971

SCHEMBL4462971

CC1(C)COC(c2cc(C3=NC(C)(C)CO3)cc(C3=NC(C)(C)CO3)c2)=N1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.55
HTT P42858 2/20 0.50
LMNA P02545 1/20 0.50
MAPT P10636 1/20 0.50
HRH3 Q9Y5N1 4/20 0.45
CYP2D6 P10635 1/20 0.45
IL2 P60568 1/20 0.38
ALDH1A1 P00352 1/20 0.37
ATM Q13315 1/20 0.37
HPGD P15428 1/20 0.37
ROCK1 Q13464 1/20 0.36

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
SCHEMBL471881 0.88 KDM4E (0.62) KDM4EHTTLMNAMAPTHRH3
SCHEMBL20409590 0.88 KDM4E (0.53) KDM4EHTTLMNAMAPTHRH3
SCHEMBL14351661 0.87 KDM4E (0.45) KDM4EHTTLMNAMAPTHRH3
SCHEMBL471858 0.86 KDM4E (0.60) KDM4EHTTLMNAMAPTHRH3
SCHEMBL20410843 0.85 KDM4E (0.59) KDM4EHTTLMNAMAPTHRH3
SCHEMBL20410882 0.85 KDM4E (0.46) KDM4EHTTLMNAMAPTHRH3
SCHEMBL28242793 0.83 KDM4E (0.59) KDM4EHTTLMNAMAPTHRH3
SCHEMBL20411007 0.82 HRH3 (0.54) KDM4EHTTLMNAMAPTHRH3
SCHEMBL20410717 0.82 KDM4E (0.51) KDM4EHTTLMNAMAPTHRH3
SCHEMBL20410580 0.82 KDM4E (0.51) KDM4EHTTLMNAMAPTHRH3

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 9 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
EP-0521992-A1 COATING COMPOSITIONS. COURTAULDS COATINGS HOLDINGS (GB) 1993-01-13 EP disclosed
WO-1991014745-A1 COATING COMPOSITIONS COURTAULDS COATINGS (HOLDINGS) LIMITED (GB) 1991-10-03 WO disclosed