SCHEMBL6537619

SCHEMBL6537619

CCc1cnc2c(NC(=O)c3c(Cl)cccc3Cl)cccc2c1C(=O)OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
POLB P06746 1/20 0.47
ABL1 P00519 2/20 0.43
SRC P12931 2/20 0.43
JAK2 O60674 3/20 0.41
JAK1 P23458 3/20 0.41
TYK2 P29597 3/20 0.41
PDE10A Q9Y233 3/20 0.41
MAPT P10636 2/20 0.40
SLC16A3 O15427 1/20 0.39
HTT P42858 2/20 0.39
HSD17B10 Q99714 1/20 0.39
PDE4D Q08499 2/20 0.39
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
GAA P10253 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 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
SCHEMBL6537687 0.89 TYK2 (0.43) MEN1KMT2APOLBJAK2JAK1
SCHEMBL6538343 0.89 SLC16A3 (0.46) MEN1KMT2APOLBJAK2JAK1
SCHEMBL6537772 0.88 TYK2 (0.42) MEN1KMT2APOLBJAK2JAK1
SCHEMBL6538164 0.85 PTGES (0.43) MEN1KMT2APOLBABL1SRC
SCHEMBL8490281 0.84 HAVCR2 (0.44) MEN1KMT2APOLBJAK2JAK1
SCHEMBL6537435 0.84 MEN1 (0.40) MEN1KMT2APOLBABL1SRC
SCHEMBL6537622 0.83 TYK2 (0.42) MEN1KMT2APOLBJAK2JAK1
SCHEMBL6537711 0.83 TYK2 (0.42) MEN1KMT2APOLBJAK2JAK1
SCHEMBL6537581 0.82 SLC16A3 (0.42) MEN1KMT2AJAK2JAK1TYK2
SCHEMBL6537931 0.82 TYK2 (0.41) MEN1KMT2APOLBJAK2JAK1

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
EP-0876345-B1 HETEROCYCLIC COMPOUNDS AS H+-ATPASES FUJISAWA PHARMACEUTICAL CO (JP) 2004-08-18 EP disclosed
US-6008230-A TREATING BONE DISEASES CAUSED BY ABNORMAL BONE METABOLISM IN HUMAN BEING OR ANIMALS AS THE INHIBITORS OF BONE RESORPTION OR THE INHIBITORS OF BONE METASTASIS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-12-28 US disclosed