SCHEMBL6031350

SCHEMBL6031350

CC(=O)NCCNC1CCCc2c1n(Cc1cccnc1)c1ccccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 5/20 0.49
CNR2 P34972 2/20 0.44
LMNA P02545 4/20 0.43
KDM4E B2RXH2 3/20 0.43
POLB P06746 2/20 0.43
MEN1 O00255 1/20 0.43
HPGD P15428 1/20 0.43
KMT2A Q03164 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
PTGDR Q13258 1/20 0.43
TBXAS1 P24557 3/20 0.42
GFER P55789 1/20 0.41
HRH1 P35367 1/20 0.41
HTR6 P50406 1/20 0.41
HDAC2 Q92769 2/20 0.41
HDAC8 Q9BY41 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
ALDH1A1 P00352 1/20 0.39
ALOX12 P18054 1/20 0.39
CHRM2 P08172 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
SCHEMBL6031159 0.78 TBXA2R (0.44) TBXA2RCNR2LMNAKDM4EMEN1
SCHEMBL2814739 0.71 HRH1 (0.49) TBXA2RCNR2LMNAKDM4EPOLB
SCHEMBL5459638 0.71 GAA (0.47) LMNAKDM4EMEN1HPGDKMT2A
SCHEMBL9518655 0.69 TBXA2R (0.57) TBXA2RKDM4EMEN1KMT2APTGDR
SCHEMBL6032231 0.68 PRMT5 (0.43) TBXA2RLMNAKDM4ETDP1PTGDR
SCHEMBL6032136 0.68 MAPT (0.43) TBXA2RTDP1PTGDR
SCHEMBL1874308 0.67 TBXA2R (0.62) TBXA2RKDM4EMEN1KMT2APTGDR
SCHEMBL8146918 0.67 CHRM4 (0.63)
SCHEMBL13142371 0.66 CNR2 (0.54) CNR2MEN1KMT2AHRH1HTR6
SCHEMBL30397995 0.66 CA1 (0.45) TBXA2RCNR2MEN1KMT2AHRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1678137-A1 COMPOSITIONS AND METHODS FOR VIRAL INHIBITION CHIRON CORPORATION (US) 2006-07-12 EP disclosed
WO-2005037791-A1 COMPOSITIONS AND METHODS FOR VIRAL INHIBITION CHIRON CORPORATION (US) 2005-04-28 WO disclosed