SCHEMBL7622600

SCHEMBL7622600

CC(C)NC(=O)CCCCCc1n[c]c[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
FAAH O00519 1/20 0.47
MAPK1 P28482 1/20 0.47
KMT2A Q03164 1/20 0.47
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 3/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TBXAS1 P24557 2/20 0.38
HPGD P15428 3/20 0.36
HSD17B10 Q99714 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NLRP1 Q9C000 1/20 0.35
EPHX2 P34913 1/20 0.34
ASAH1 Q13510 1/20 0.34
ACER2 Q5QJU3 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34

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
SCHEMBL7622667 1.00 MEN1 (0.47) MEN1FAAHMAPK1KMT2AALDH1A1
SCHEMBL7623156 1.00 MEN1 (0.47) MEN1FAAHMAPK1KMT2AALDH1A1
SCHEMBL7618079 0.84 TBXAS1 (0.41) FAAHTBXAS1HDAC3HDAC4HDAC1
SCHEMBL7617067 0.81 VHL (0.41) MEN1FAAHMAPK1KMT2AALDH1A1
SCHEMBL7625860 0.80 CNR1 (0.43) MEN1FAAHKMT2AALDH1A1HPGD
SCHEMBL7621282 0.78 TBXAS1 (0.38) TBXAS1
SCHEMBL7616683 0.78 LMNA (0.47) MAPK1ALDH1A1KDM4ETBXAS1HPGD
SCHEMBL7618333 0.78 LMNA (0.47) MAPK1ALDH1A1KDM4ETBXAS1HPGD
SCHEMBL7621773 0.77 TBXAS1 (0.61) TBXAS1HDAC3HDAC4HDAC1HDAC7
SCHEMBL7614088 0.77 TBXAS1 (0.61) TBXAS1HDAC3HDAC4HDAC1HDAC7

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