SCHEMBL7084039

SCHEMBL7084039

Cn1c2cnccc2c2c(Cl)c(O)c(Cl)cc21

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 3/20 0.60
ADORA2A P29274 2/20 0.60
TOP2A P11388 1/20 0.41
ROCK2 O75116 5/20 0.41
SLC22A12 Q96S37 2/20 0.39
MAPT P10636 4/20 0.35
KDM5A P29375 1/20 0.35
CYP19A1 P11511 1/20 0.35
NFATC1 O95644 1/20 0.34
GSK3B P49841 1/20 0.34
DYRK1A Q13627 1/20 0.34
RPS6KA3 P51812 1/20 0.33
IMPDH2 P12268 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
ALOX15B O15296 1/20 0.33
NR1I2 O75469 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33

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
SCHEMBL29369522 0.74 ADORA3 (0.60) ADORA3ADORA2ATOP2AROCK2MAPT
SCHEMBL7082174 0.74 ADORA3 (0.60) ADORA3ADORA2ATOP2AROCK2MAPT
SCHEMBL7083487 0.74 ADORA3 (0.60) ADORA3ADORA2ATOP2AROCK2MAPT
SCHEMBL1609661 0.72 ADORA3 (0.54) ADORA3ADORA2ATOP2AROCK2NFATC1
SCHEMBL11490005 0.70 ADORA3 (0.62) ADORA3ADORA2ATOP2AROCK2MAPT
SCHEMBL6046305 0.69 ADORA3 (0.54) ADORA3ADORA2AROCK2MAPTNFATC1
SCHEMBL21807233 0.68 ADORA3 (0.42) ADORA3ADORA2AROCK2MAPTKDM5A
SCHEMBL7082459 0.68 ADORA3 (0.57) ADORA3ADORA2AKDM5AKDM4EALDH1A1
SCHEMBL29856387 0.67 SLC22A12 (0.46) ADORA3ADORA2AROCK2SLC22A12KDM5A
Bauerine B SCHEMBL3305155 0.67 SIRT2 (0.44) ADORA3ADORA2AROCK2CYP19A1NFATC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030148259-A1 Method of identifying insulin secretion stimulating compounds, and the use of such compounds in treating insulin-secretion related disorders KAROLINSKA INNOVATIONS AB (SE) 2003-08-07 US claimed
WO-2003065036-A1 METHOD OF IDENTIFYING INSULIN SECRETION STIMULATING COMPOUNDS, AND THE USE OF SUCH COMPOUNDS IN TREATING INSULIN-SECRETION RELATED DISORDERS KAROLINSKA INNOVATIONS AB (SE) 2003-08-07 WO claimed
US-20030148259-A1 Method of identifying insulin secretion stimulating compounds, and the use of such compounds in treating insulin-secretion related disorders KAROLINSKA INNOVATIONS AB (SE) 2003-08-07 US disclosed
WO-2003065036-A1 METHOD OF IDENTIFYING INSULIN SECRETION STIMULATING COMPOUNDS, AND THE USE OF SUCH COMPOUNDS IN TREATING INSULIN-SECRETION RELATED DISORDERS KAROLINSKA INNOVATIONS AB (SE) 2003-08-07 WO disclosed