SCHEMBL3240749

SCHEMBL3240749

CC(CC(=O)NCc1ccncc1)C(N)=O

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.55
MAPT P10636 2/20 0.55
MAPK1 P28482 2/20 0.55
ALDH1A1 P00352 3/20 0.52
CYP3A4 P08684 1/20 0.52
GAA P10253 4/20 0.51
HPGD P15428 1/20 0.48
RAB9A P51151 1/20 0.47
HTT P42858 1/20 0.47
POLB P06746 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.45

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
SCHEMBL6432230 0.84 HPGD (0.60) MAPTALDH1A1CYP3A4GAAHPGD
SCHEMBL4788083 0.84 HPGD (0.60) MAPTALDH1A1CYP3A4GAAHPGD
SCHEMBL8252108 0.84 HPGD (0.66) LMNAMAPTMAPK1ALDH1A1CYP3A4
SCHEMBL4929420 0.83 HPGD (0.53) LMNAALDH1A1HPGDRAB9APOLB
SCHEMBL5864338 0.79 PLA2G1B (0.57) LMNAALDH1A1GAAHPGDRAB9A
SCHEMBL6431910 0.79 PLA2G1B (0.57) LMNAALDH1A1GAAHPGDRAB9A
SCHEMBL21845943 0.76 ALDH1A1 (0.55) LMNAMAPTMAPK1ALDH1A1CYP3A4
SCHEMBL7430897 0.76 ALDH1A1 (0.59) LMNAMAPTMAPK1ALDH1A1CYP3A4
SCHEMBL3240744 0.76 ALDH1A1 (0.55) LMNAMAPTMAPK1ALDH1A1CYP3A4
SCHEMBL1286079 0.75 CYP3A4 (0.54) LMNAMAPTMAPK1ALDH1A1CYP3A4

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
WO-2010024772-A1 ASPARTYL PROTEASE INHIBITORS MEDIVIR AB (SE) 2010-03-04 WO disclosed
WO-2008107365-A1 NEW COMPOUNDS MEDIVIR AB (SE) 2008-09-12 WO disclosed