SCHEMBL7984548

SCHEMBL7984548

COc1cccc(NC(=O)OCCCOc2ccnc(Cn3cnc4ccccc43)c2C)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDYL2 Q8N8U2 1/20 0.45
CDYL Q9Y232 1/20 0.45
CDY1; CDY1B Q9Y6F8 1/20 0.45
MAPT P10636 4/20 0.44
CCNT1 O60563 3/20 0.43
CDK9 P50750 3/20 0.43
SMN1; SMN2 Q16637 6/20 0.41
LMNA P02545 3/20 0.41
GAA P10253 2/20 0.41
HTT P42858 2/20 0.41
BRD4 O60885 1/20 0.41
POLB P06746 1/20 0.41
THRB P10828 1/20 0.40
RECQL P46063 1/20 0.40
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 1/20 0.40
MTNR1B P49286 1/20 0.39
USP2 O75604 1/20 0.39
HSD17B10 Q99714 1/20 0.39
NPSR1 Q6W5P4 3/20 0.39

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
SCHEMBL7994205 0.90 SMN1; SMN2 (0.43) MAPTSMN1; SMN2LMNAHTTRECQL
SCHEMBL8002185 0.86 SMN1; SMN2 (0.52) MAPTCCNT1CDK9SMN1; SMN2LMNA
SCHEMBL7984881 0.84 SMN1; SMN2 (0.40) MAPTSMN1; SMN2LMNAHTTALDH1A1
SCHEMBL8001766 0.83 NPC1 (0.49) MAPTSMN1; SMN2LMNAHTTRECQL
SCHEMBL7983724 0.79 SMN1; SMN2 (0.55) MAPTSMN1; SMN2LMNAHTTALDH1A1
SCHEMBL7995844 0.77 SMN1; SMN2 (0.48) MAPTSMN1; SMN2LMNAGAAHTT
SCHEMBL7983861 0.76 NPSR1 (0.51) MAPTSMN1; SMN2LMNAHTTALDH1A1
SCHEMBL7983909 0.76 SMN1; SMN2 (0.49) MAPTSMN1; SMN2LMNAGAAHTT
SCHEMBL7983841 0.74 SMN1; SMN2 (0.50) MAPTSMN1; SMN2LMNAGAAHTT
Hydrochloric Acid SCHEMBL8001463 0.74 SMN1; SMN2 (0.49) MAPTSMN1; SMN2LMNAGAAHTT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2001034578-A1 COMPOUNDS WITH ANTI-HELICOBACTER PYLORI ACTIVITY ASTRAZENECA AB (SE) 2001-05-17 WO disclosed