SCHEMBL7120330

SCHEMBL7120330

CCOC(=O)c1cn(CC2CC2)c2cc(I)ccc2c1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.48
HPGD P15428 3/20 0.46
KMT2A Q03164 2/20 0.46
P2RX3 P56373 1/20 0.46
TDP1 Q9NUW8 1/20 0.45
MEN1 O00255 1/20 0.44
MAPT P10636 1/20 0.44
THRB P10828 1/20 0.44
POLB P06746 1/20 0.44
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 2/20 0.43
HSD17B10 Q99714 2/20 0.43
CNR1 P21554 4/20 0.41
CNR2 P34972 3/20 0.41
PIM1 P11309 1/20 0.41
IRAK1 P51617 1/20 0.41
CAMK2B Q13554 1/20 0.41
CAMK2G Q13555 1/20 0.41
CAMK2D Q13557 1/20 0.41
PIM3 Q86V86 1/20 0.41

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
SCHEMBL7127615 0.93 LMNA (0.44) LMNAHPGDKMT2AP2RX3TDP1
SCHEMBL4149885 0.91 LMNA (0.56) LMNAHPGDKMT2ATDP1MEN1
SCHEMBL31310726 0.87 LMNA (0.54) LMNAHPGDKMT2ATDP1MEN1
SCHEMBL3008117 0.87 LMNA (0.62) LMNAHPGDKMT2AP2RX3TDP1
SCHEMBL1431428 0.86 LMNA (0.63) LMNAHPGDKMT2AP2RX3TDP1
SCHEMBL3003778 0.85 HPGD (0.54) LMNAHPGDKMT2AMEN1MAPT
SCHEMBL3004101 0.85 LMNA (0.52) LMNAHPGDKMT2AMEN1MAPT
SCHEMBL7120371 0.84 LMNA (0.52) LMNAHPGDKMT2AP2RX3TDP1
SCHEMBL7124395 0.83 LMNA (0.51) LMNAHPGDKMT2AP2RX3TDP1
SCHEMBL7128946 0.81 LMNA (0.52) LMNAHPGDKMT2AP2RX3TDP1

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