SCHEMBL3346882

SCHEMBL3346882

CCOCOc1ccc2nc(NC(=O)c3c[c]ccc3)sc2c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.66
MAPT P10636 5/20 0.66
TP53 P04637 3/20 0.66
NPC1 O15118 9/20 0.60
RAB9A P51151 9/20 0.60
SCD O00767 8/20 0.57
ALDH1A1 P00352 2/20 0.56
MAPK1 P28482 1/20 0.56
HTT P42858 1/20 0.56
KMT2A Q03164 3/20 0.56
PKM P14618 1/20 0.56
OPRK1 P41145 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
MEN1 O00255 2/20 0.52
HSD17B10 Q99714 1/20 0.52
USP2 O75604 1/20 0.52
POLB P06746 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
KDM4E B2RXH2 1/20 0.52
GLA P06280 1/20 0.52

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
SCHEMBL3347093 0.88 SMN1; SMN2 (0.67) SMN1; SMN2MAPTTP53NPC1RAB9A
SCHEMBL2482233 0.85 SCD (0.76) SMN1; SMN2NPC1RAB9ASCDALDH1A1
SCHEMBL3347336 0.83 RAB9A (0.60) SMN1; SMN2MAPTTP53NPC1RAB9A
SCHEMBL12199467 0.81 MAPT (0.68) SMN1; SMN2MAPTTP53NPC1RAB9A
SCHEMBL14790064 0.81 NPC1 (0.68) SMN1; SMN2MAPTTP53NPC1RAB9A
SCHEMBL12199473 0.80 SMN1; SMN2 (0.70) SMN1; SMN2MAPTTP53NPC1RAB9A
SCHEMBL12199452 0.80 SMN1; SMN2 (0.70) SMN1; SMN2MAPTTP53NPC1RAB9A
Bromide SCHEMBL2482565 0.80 MAPT (0.67) SMN1; SMN2MAPTTP53NPC1RAB9A
Bromide SCHEMBL2483413 0.80 SMN1; SMN2 (0.69) SMN1; SMN2MAPTTP53NPC1RAB9A
SCHEMBL3347489 0.80 MAP3K5 (0.63) SMN1; SMN2MAPTTP53NPC1RAB9A

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-2010066357-A1 BENZOTHIAZOLE AMIDES FOR DETECTION OF AMYLOID BETA BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-06-17 WO disclosed