SCHEMBL3240744

SCHEMBL3240744

CC([CH]C(=O)NCc1ccncc1)C(N)=O

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.55
LMNA P02545 3/20 0.51
MAPK1 P28482 2/20 0.51
MAPT P10636 2/20 0.51
KDM4E B2RXH2 1/20 0.51
CYP3A4 P08684 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.48
HTT P42858 2/20 0.47
RAB9A P51151 1/20 0.47
POLB P06746 1/20 0.46
GAA P10253 3/20 0.46
HSD17B10 Q99714 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
NAMPT P43490 1/20 0.44

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
SCHEMBL2141942 0.85 ALDH1A1 (0.52) ALDH1A1LMNAMAPK1MAPTKDM4E
SCHEMBL4746745 0.84 ALDH1A1 (0.58) ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL4743831 0.84 ALDH1A1 (0.58) ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL4747913 0.83 RECQL (0.62) ALDH1A1LMNAMAPTCYP3A4SMN1; SMN2
SCHEMBL2695687 0.79 ALDH1A1 (0.67) ALDH1A1LMNAMAPK1MAPTKDM4E
SCHEMBL3240749 0.76 LMNA (0.55) ALDH1A1LMNAMAPK1MAPTCYP3A4
SCHEMBL12707584 0.75 ALDH1A1 (0.67) ALDH1A1LMNAMAPK1MAPTKDM4E
SCHEMBL7960109 0.75 ALDH1A1 (0.54) ALDH1A1LMNAMAPK1MAPTKDM4E
SCHEMBL6929919 0.75 RECQL (0.62) ALDH1A1LMNAMAPK1MAPTSMN1; SMN2
SCHEMBL28454208 0.74 ALDH1A1 (0.72) ALDH1A1LMNAMAPTKDM4ESMN1; SMN2

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