SCHEMBL7117145

SCHEMBL7117145

CCOC(=O)c1cn(CCOCCOCCO)c2cc(I)ccc2c1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.46
KMT2A Q03164 3/20 0.44
P2RX3 P56373 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
POLB P06746 1/20 0.42
MAP2K2 P36507 2/20 0.40
MAP2K1 Q02750 2/20 0.40
PKM P14618 1/20 0.40
HPGD P15428 4/20 0.39
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 3/20 0.39
HSD17B10 Q99714 2/20 0.39
PIM1 P11309 1/20 0.39
IRAK1 P51617 1/20 0.39
CAMK2B Q13554 1/20 0.39
CAMK2G Q13555 1/20 0.39
CAMK2D Q13557 1/20 0.39
PIM3 Q86V86 1/20 0.39
MEN1 O00255 2/20 0.38
MAPT P10636 2/20 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
SCHEMBL7124395 0.89 LMNA (0.51) LMNAKMT2AP2RX3TDP1POLB
SCHEMBL8913596 0.86 LMNA (0.40) LMNATDP1MAP2K2MAP2K1HPGD
SCHEMBL7120371 0.86 LMNA (0.52) LMNAKMT2AP2RX3TDP1POLB
SCHEMBL1431428 0.84 LMNA (0.63) LMNAKMT2AP2RX3TDP1POLB
SCHEMBL8698421 0.81 LMNA (0.44) LMNAKMT2AP2RX3TDP1POLB
SCHEMBL3004121 0.81 LMNA (0.60) LMNAKMT2AP2RX3TDP1POLB
SCHEMBL2998174 0.80 MAP2K2 (0.52) LMNAKMT2AP2RX3TDP1POLB
SCHEMBL4903266 0.80 LMNA (0.53) LMNAKMT2AP2RX3TDP1POLB
SCHEMBL3006908 0.79 LMNA (0.57) LMNAKMT2AP2RX3TDP1POLB
SCHEMBL7128946 0.79 LMNA (0.52) LMNAKMT2AP2RX3TDP1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0793656-B1 NOVEL BENZYL PYRIMIDINES BASILEA PHARMACEUTICA AG (CH) 2003-03-26 EP disclosed
US-5763450-A BACTERICIDES; TREATMENT OF INFECTIOUS DISEASES HOFFMANN-LA ROCHE INC. (US) 1998-06-09 US disclosed
EP-0793656-A1 NOVEL BENZYL PYRIMIDINES F. HOFFMANN-LA ROCHE AG (CH) 1997-09-10 EP disclosed
WO-1996016046-A2 NOVEL BENZYL PYRIMIDINES F. HOFFMANN-LA ROCHE AG (CH) 1996-05-30 WO disclosed