SCHEMBL7617067

SCHEMBL7617067

CC(C)NC(=O)Cc1n[c]c[nH]1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
VHL P40337 1/20 0.41
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
FAAH O00519 1/20 0.35
MAPK1 P28482 1/20 0.35
ALDH1A1 P00352 3/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
LMNA P02545 1/20 0.34
KDM4E B2RXH2 2/20 0.33
HDAC4 P56524 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
GAA P10253 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HPGD P15428 1/20 0.32
CHRM5 P08912 1/20 0.32
CHRM3 P20309 1/20 0.32

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
SCHEMBL7623156 0.81 MEN1 (0.47) KMT2AMEN1FAAHMAPK1ALDH1A1
SCHEMBL7622600 0.81 MEN1 (0.47) KMT2AMEN1FAAHMAPK1ALDH1A1
SCHEMBL7622667 0.81 MEN1 (0.47) KMT2AMEN1FAAHMAPK1ALDH1A1
SCHEMBL17190635 0.67 VHL (0.40) VHLKMT2AMEN1FAAHMAPK1
SCHEMBL7618079 0.66 TBXAS1 (0.41) FAAHHDAC4HDAC6
SCHEMBL22901902 0.66 ALDH1A1 (0.56) KMT2AMEN1ALDH1A1KDM4E
SCHEMBL12376735 0.64 ALDH1A1 (0.62) KMT2AMEN1ALDH1A1LMNAKDM4E
SCHEMBL24328031 0.62 VHL (0.42) VHLALDH1A1LMNAKDM4EHDAC4
SCHEMBL3009276 0.62 VHL (0.42) VHLKMT2AMEN1MAPK1ALDH1A1
SCHEMBL29199445 0.62 VHL (0.45) VHLMAPK1ALDH1A1L3MBTL1LMNA

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-1232166-A2 SYNTHESIS OF 2'-DEOXY-L-NUCLEOSIDES Pharmasset Limited (US) 2002-08-21 EP disclosed
WO-2001034618-A2 SYNTHESIS OF 2'-DEOXY-L-NUCLEOSIDES PHARMASSET LIMITED (US) 2001-05-17 WO disclosed