SCHEMBL9212503

SCHEMBL9212503

[CH2]C(OC=O)c1ccncc1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
SLC6A2 P23975 2/20 0.35
SLC6A4 P31645 2/20 0.35
SLC6A3 Q01959 2/20 0.35
CYP19A1 P11511 1/20 0.33
GAA P10253 1/20 0.32
CTSD P07339 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
KDM4E B2RXH2 1/20 0.31
HSD17B10 Q99714 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ALDH1A1 P00352 1/20 0.30
MDM2 Q00987 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL9210766 0.79 HCAR2 (0.31)
SCHEMBL4386400 0.78 KMT2A (0.42) CYP2C19CTSDL3MBTL1KDM4EALDH1A1
SCHEMBL9210430 0.77 CFTR (0.44) SLC6A2SLC6A4SLC6A3CYP19A1L3MBTL1
SCHEMBL6632699 0.71 CYP3A4 (0.43) CYP3A4CYP2C19SLC6A2SLC6A4SLC6A3
Sulfuric Acid SCHEMBL28064136 0.68 HPGD (0.34) SLC6A2SLC6A4SLC6A3CYP19A1KDM4E
SCHEMBL9212907 0.68
SCHEMBL29235892 0.67 GAA (0.41) CYP3A4GAACTSDALDH1A1MDM2
SCHEMBL8463112 0.66 SLC6A2 (0.55) CYP3A4CYP2C19SLC6A2SLC6A4SLC6A3
SCHEMBL242307 0.66 SLC6A2 (0.42) CYP3A4CYP2C19SLC6A2SLC6A4SLC6A3
SCHEMBL27856382 0.64 FFAR2 (0.40) CYP3A4CYP2C19CYP19A1L3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0508549-B1 New triazolopyrimidine and pyrazolopyrimidine derivatives useful for treating cachexia SANKYO CO (JP) 1995-04-26 EP disclosed
EP-0347252-B1 METHOD OF TREATING CACHEXIA AND CERTAIN NEW COMPOUNDS FOR USE IN THIS METHOD SANKYO COMPANY LIMITED (JP) 1993-05-05 EP disclosed
EP-0508549-A2 New triazolopyrimidine and pyrazolopyrimidine derivatives useful for treating cachexia SANKYO COMPANY LIMITED (JP) 1992-10-14 EP disclosed
US-5086057-A METHOD OF TREATING CACHEXIA AND CERTAIN NEW COMPOUNDS FOR USE IN THIS METHOD SANKYO COMPANY LIMITED (JP) 1992-02-04 US disclosed
US-5055479-A For enhancing activity of lipoprotein lipase enzymes SANKYO COMPANY, LIMITED (JP) 1991-10-08 US disclosed
EP-0347252-A2 Method of treating cachexia and certain new compounds for use in this method SANKYO COMPANY LIMITED (JP) 1989-12-20 EP disclosed