SCHEMBL8615006

SCHEMBL8615006

Cc1nc(-c2ccoc2)oc1C(=O)c1oc(-c2ccoc2)nc1C

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.47
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.40
ADORA2A P29274 3/20 0.38
ADORA3 P0DMS8 2/20 0.38
ADORA2B P29275 2/20 0.38
IKBKB O14920 2/20 0.36
ADORA1 P30542 2/20 0.35
CNR2 P34972 1/20 0.34
P2RY14 Q15391 1/20 0.34
PLAU P00749 1/20 0.33
STAT3 P40763 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
SCHEMBL8615008 0.74 POLB (0.38) GAAALDH1A1LMNAPOLBADORA2A
SCHEMBL8612787 0.71 HSD17B10 (0.46) GAAALDH1A1LMNAPOLBADORA2A
SCHEMBL2789941 0.69 GAA (0.73) GAAKDM4EALDH1A1LMNAPOLB
SCHEMBL31301354 0.68 GAA (0.58) GAAKDM4EALDH1A1LMNAPOLB
Hydrochloric Acid SCHEMBL11623044 0.68 GAA (0.71) GAAKDM4EALDH1A1LMNAPOLB
SCHEMBL20646882 0.67 GAA (0.69) GAAKDM4EALDH1A1LMNAPOLB
SCHEMBL3436261 0.67 ALDH1A1 (0.50) ALDH1A1POLBPLAU
SCHEMBL17373915 0.66 GAA (0.48) GAAKDM4EALDH1A1LMNA
SCHEMBL10049085 0.66 SMN1; SMN2 (0.65) GAAKDM4EALDH1A1POLB
SCHEMBL2775125 0.66 GAA (0.68) GAAKDM4EALDH1A1LMNAPOLB

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
US-5731335-A NERVOUS SYSTEM DISORDERS; STROKE; ANTIISCHEMIC AGENTS; COGNITION ACTIVATORS ASTRA AKTIEBOLAG (SE) 1998-03-24 US disclosed