SCHEMBL9780958

SCHEMBL9780958

O=C(O)CCOc1c(Cl)cccc1Cl

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.67
LMNA P02545 1/20 0.47
AKR1B1 P15121 1/20 0.47
MCL1 Q07820 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
MEN1 O00255 1/20 0.45
RXRA P19793 1/20 0.44
RXRB P28702 1/20 0.44
RXRG P48443 1/20 0.44
PYGL P06737 1/20 0.44
THRB P10828 1/20 0.42
PLAU P00749 1/20 0.42
FABP4 P15090 1/20 0.42
FABP5 Q01469 1/20 0.42
HTR1A P08908 1/20 0.42
ADRA1D P25100 1/20 0.42
ADRA1A P35348 1/20 0.42
ADRA1B P35368 1/20 0.42
CAMK2A Q9UQM7 1/20 0.42
CD69 Q07108 1/20 0.42

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
SCHEMBL9780586 0.91 KMT2A (0.65) KMT2AAKR1B1L3MBTL1MEN1PYGL
SCHEMBL9780778 0.89 KMT2A (0.62) KMT2AAKR1B1L3MBTL1MEN1PYGL
SCHEMBL9780857 0.87 KMT2A (0.61) KMT2AAKR1B1L3MBTL1PYGL
SCHEMBL1694563 0.80 LMNA (0.56) KMT2ALMNAAKR1B1MCL1L3MBTL1
SCHEMBL3729436 0.80 KMT2A (1.00) KMT2ALMNAAKR1B1MCL1CD69
SCHEMBL9501831 0.80 POLB (0.56) KMT2AMCL1L3MBTL1HTR1APOLB
SCHEMBL578719 0.79 LMNA (0.64) KMT2ALMNAL3MBTL1MEN1RXRA
SCHEMBL25977944 0.79 CYP1A2 (0.65) KMT2ALMNAL3MBTL1MEN1THRB
SCHEMBL21156896 0.78 LMNA (0.53) KMT2ALMNAAKR1B1MCL1L3MBTL1
SCHEMBL31107962 0.78 LMNA (0.53) KMT2ALMNAAKR1B1MCL1L3MBTL1

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-0257378-B1 PYRIMIDINE DERIVATIVES, THEIR PREPARATION AND MEDICAMENTS CONTAINING THESE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1991-07-03 EP disclosed
US-5010060-A Method of treating herpes simplex viral infection employing pyrimidine derivatives HOFFMANN-LA ROCHE INC. (US) 1991-04-23 US disclosed
US-4851519-A AMIDO NUCLEOSIDES, VIRICIDES HOFFMANN-LA ROCHE INC. (US) 1989-07-25 US disclosed
EP-0257378-A1 Pyrimidine derivatives, their preparation and medicaments containing these derivatives F. HOFFMANN-LA ROCHE AG (CH) 1988-03-02 EP disclosed