SCHEMBL7129697

SCHEMBL7129697

CCOC(=O)c1cn(C2CCCC2)c2cc(I)ccc2c1=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.46
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
LMNA P02545 1/20 0.43
ADRB2 P07550 1/20 0.42
HPGD P15428 1/20 0.42
ALDH1A1 P00352 2/20 0.41
MAPK1 P28482 1/20 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
TDP1 Q9NUW8 1/20 0.40
MAPT P10636 1/20 0.40
THRB P10828 1/20 0.40
P2RX3 P56373 1/20 0.39
ROCK2 O75116 1/20 0.39
CDK1 P06493 1/20 0.39

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
SCHEMBL7129782 0.99 KDM4E (0.48) KDM4EKMT2AMEN1LMNAADRB2
SCHEMBL3005757 0.90 KDM4E (0.48) KDM4EKMT2AMEN1LMNAADRB2
SCHEMBL263670 0.87 ADRB2 (0.47) KDM4EKMT2AMEN1LMNAADRB2
SCHEMBL3004100 0.87 LMNA (0.50) KDM4EKMT2AMEN1LMNAADRB2
SCHEMBL7131487 0.86 LMNA (0.55) KDM4EKMT2AMEN1LMNAADRB2
SCHEMBL7123197 0.83 KDM4E (0.46) KDM4EKMT2AMEN1LMNAADRB2
SCHEMBL7120421 0.83 MAPK8 (0.42) KDM4EKMT2ALMNAADRB2HPGD
SCHEMBL7120425 0.83 MAPK8 (0.42) KDM4EKMT2ALMNAADRB2HPGD
SCHEMBL7127052 0.83 KDM4E (0.67) KDM4EKMT2AMEN1LMNAHPGD
SCHEMBL7512469 0.82 LMNA (0.58) KDM4EKMT2AMEN1LMNAADRB2

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