SCHEMBL21450180

SCHEMBL21450180

O=C(COc1ccc(Cl)cc1)Nc1cnc(NC(=O)COc2ccc(Cl)cc2)s1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.68
RAB9A P51151 4/20 0.68
MEN1 O00255 4/20 0.68
KMT2A Q03164 4/20 0.68
NPC1 O15118 3/20 0.68
LMNA P02545 3/20 0.68
SMN1; SMN2 Q16637 2/20 0.68
NPY1R P25929 1/20 0.68
HTT P42858 1/20 0.68
TSHR P16473 2/20 0.59
NPSR1 Q6W5P4 1/20 0.57
SENP2 Q9HC62 1/20 0.56
SENP1 Q9P0U3 1/20 0.56
TP53 P04637 3/20 0.55
PDE5A O76074 1/20 0.54
PDE1A P54750 1/20 0.54
PDE1B Q01064 1/20 0.54
PDE1C Q14123 1/20 0.54
ALDH1A1 P00352 2/20 0.52
L3MBTL1 Q9Y468 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
SCHEMBL21450201 0.83 MAPT (0.73) MAPTRAB9AMEN1KMT2ANPC1
SCHEMBL21439777 0.83 NPSR1 (0.61) MAPTRAB9AMEN1KMT2ANPC1
SCHEMBL21436734 0.78 NPSR1 (0.56) MAPTRAB9AMEN1KMT2ANPC1
SCHEMBL29130878 0.78 NPC1 (0.57) MAPTRAB9AMEN1KMT2ANPC1
SCHEMBL21450360 0.77 RAB9A (0.83) MAPTRAB9AMEN1KMT2ANPC1
SCHEMBL2683107 0.77 NPC1 (0.76) MAPTRAB9AMEN1KMT2ANPC1
SCHEMBL21436718 0.77 NPSR1 (0.55) MAPTRAB9AMEN1KMT2ANPC1
SCHEMBL21436991 0.75 NPSR1 (0.77) MAPTRAB9AMEN1KMT2ANPC1
SCHEMBL21450182 0.75 PDE5A (0.69) MAPTRAB9AMEN1KMT2ANPC1
SCHEMBL16082990 0.75 MEN1 (0.85) MAPTRAB9AMEN1KMT2ANPC1

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-2019193540-A1 HETEROARYL DERIVATIVES OF FORMULA (I) AS ATF4 INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-10-10 WO disclosed