SCHEMBL3454424

SCHEMBL3454424

CCOC(=O)c1sc(-c2c(OC)cc[nH]c2=O)nc1C

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 4/20 0.52
DBF4 Q9UBU7 4/20 0.52
ALDH1A1 P00352 10/20 0.50
KDM4E B2RXH2 7/20 0.50
LMNA P02545 3/20 0.49
HPGD P15428 6/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MAPT P10636 4/20 0.45
NPC1 O15118 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
RAB9A P51151 2/20 0.45
USP2 O75604 1/20 0.45
GAA P10253 1/20 0.45
HSD17B10 Q99714 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
RXFP1 Q9HBX9 2/20 0.44
TRPM8 Q7Z2W7 2/20 0.41

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
SCHEMBL3454216 0.86 CDC7 (0.54) CDC7DBF4ALDH1A1KDM4ELMNA
SCHEMBL3454854 0.86 SMN1; SMN2 (0.48) ALDH1A1KDM4EHPGDSMN1; SMN2NPC1
SCHEMBL3454224 0.84 LMNA (0.46) CDC7DBF4ALDH1A1KDM4ELMNA
SCHEMBL3454521 0.84 LMNA (0.51) CDC7DBF4ALDH1A1KDM4ELMNA
SCHEMBL3454678 0.83 ALDH1A1 (0.48) CDC7DBF4ALDH1A1KDM4ELMNA
SCHEMBL3454105 0.83 LMNA (0.44) CDC7DBF4ALDH1A1KDM4ELMNA
SCHEMBL3454511 0.81 CDC7 (0.52) CDC7DBF4ALDH1A1KDM4ELMNA
SCHEMBL3454078 0.79 LMNA (0.41) CDC7DBF4ALDH1A1KDM4ELMNA
SCHEMBL3454229 0.78 SCD (0.55) HPGDNPC1
SCHEMBL10997300 0.75 LMNA (0.60) CDC7DBF4ALDH1A1KDM4ELMNA

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-2007143597-A9 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-11-11 WO claimed
WO-2007143597-A9 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-11-11 WO disclosed