SCHEMBL8345923

SCHEMBL8345923

CC(O)c1nsc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.47
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 1/20 0.47
HSD17B10 Q99714 1/20 0.47
SORD Q00796 1/20 0.43
EPAS1 Q99814 8/20 0.41
MMP9 P14780 2/20 0.38
LMNA P02545 2/20 0.36
TP53 P04637 2/20 0.36
RXFP1 Q9HBX9 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL4546569 0.84 KDM4E (0.50) MAPTKDM4EALDH1A1HSD17B10SORD
SCHEMBL7458233 0.81 MAPT (0.47) MAPTKDM4EALDH1A1HSD17B10SORD
SCHEMBL21346283 0.81 KDM4E (0.47) MAPTKDM4EALDH1A1HSD17B10SORD
SCHEMBL13680773 0.81 KDM4E (0.52) MAPTKDM4EALDH1A1HSD17B10SORD
SCHEMBL20072401 0.78 MAPT (0.44) MAPTKDM4EALDH1A1HSD17B10EPAS1
SCHEMBL28743260 0.77 MAPT (0.43) MAPTKDM4EALDH1A1HSD17B10SORD
SCHEMBL8119056 0.75 MMP9 (0.43) MAPTKDM4EALDH1A1HSD17B10EPAS1
SCHEMBL12755493 0.73 MMP9 (0.41) MAPTKDM4EALDH1A1HSD17B10MMP9
SCHEMBL12829904 0.72 MMP9 (0.40) MAPTKDM4EALDH1A1HSD17B10EPAS1
SCHEMBL24983709 0.70 MAPT (0.41) MAPTKDM4EALDH1A1HSD17B10EPAS1

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-1999014216-A1 SUBSTITUTED 3(-1,2-BENZISOTHIAZOL OR ISOXAZOL-5 YL)-SUBSTITUTED PYRIMIDINE AS HERBICIDES AMERICAN CYANAMID COMPANY (US) 1999-03-25 WO disclosed