SCHEMBL8917897

SCHEMBL8917897

CCC(=O)c1cnc2c(c1)oc(=O)n2C

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.42
ALDH1A1 P00352 4/20 0.41
HPGD P15428 2/20 0.41
KDM4E B2RXH2 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
MAPK1 P28482 1/20 0.32
LMNA P02545 2/20 0.31
ATM Q13315 1/20 0.31
NCOA1 Q15788 1/20 0.31
NCOA3 Q9Y6Q9 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2B Q13224 1/20 0.31
KCNJ1 P48048 2/20 0.31
GAA P10253 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CA9 Q16790 1/20 0.31

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
SCHEMBL8626905 0.84 ALDH1A1 (0.43) SIGMAR1ALDH1A1HPGDKDM4EL3MBTL1
SCHEMBL8919469 0.83 MAPK1 (0.36) SIGMAR1ALDH1A1HPGDMAPK1LMNA
SCHEMBL8629045 0.80 ALDH1A1 (0.41) SIGMAR1ALDH1A1MAPK1
SCHEMBL8919157 0.79 ALDH1A1 (0.35) SIGMAR1ALDH1A1HPGDKDM4ELMNA
SCHEMBL8626022 0.79 ALDH1A1 (0.63) SIGMAR1ALDH1A1HPGDKDM4EL3MBTL1
SCHEMBL19023154 0.75 HPGD (0.37) ALDH1A1HPGDKDM4EL3MBTL1LMNA
SCHEMBL8919693 0.75 POLB (0.46) ALDH1A1KDM4E
SCHEMBL10392904 0.74 ALDH1A1 (0.63) SIGMAR1ALDH1A1HPGDKDM4ELMNA
SCHEMBL46341 0.73 ALDH1A1 (0.35) ALDH1A1HPGDL3MBTL1LMNASMN1; SMN2
SCHEMBL8920278 0.73 MEN1 (0.51) SIGMAR1ALDH1A1MAPK1LMNASMN1; SMN2

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
US-5618819-A ANALGESICS ADIR ET COMPAGNIE (FR) 1997-04-08 US disclosed
EP-0691339-A1 Amine derivatives of 1,3-dihydro-2H-pyrrolo(2,3-b)pyridin-2-ones and oxazolo(4,5-b)pyridin-2(3H)-ones, their process of preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1996-01-10 EP disclosed