SCHEMBL4289764

SCHEMBL4289764

O=C(O)C(c1ccccc1)c1ccc2ccccc2n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.49
KDM4E B2RXH2 3/20 0.46
PRNP P04156 3/20 0.46
RXFP1 Q9HBX9 3/20 0.46
ALDH1A1 P00352 3/20 0.46
MAPK10 P53779 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
CNR2 P34972 2/20 0.45
S1PR3 Q99500 1/20 0.43
LMNA P02545 1/20 0.42
RAB9A P51151 2/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPC1 O15118 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HSD17B10 Q99714 1/20 0.41
GAA P10253 2/20 0.41
CYP1A2 P05177 1/20 0.41

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
SCHEMBL28041716 0.84 HDAC8 (0.59) MGAMALDH1A1CNR2S1PR3RAB9A
SCHEMBL7774729 0.79 MGAM (0.52) MGAMKDM4EPRNPRXFP1ALDH1A1
SCHEMBL27721065 0.77 MGAM (0.50) MGAMKDM4EPRNPRXFP1ALDH1A1
SCHEMBL27519044 0.77 KDM4E (0.51) MGAMKDM4EPRNPRXFP1ALDH1A1
SCHEMBL3673078 0.77 KDM4E (0.55) MGAMKDM4EPRNPRXFP1ALDH1A1
SCHEMBL1613317 0.77 MGAM (0.50) MGAMKDM4EPRNPRXFP1ALDH1A1
SCHEMBL27325063 0.77 MGAM (0.50) MGAMKDM4EPRNPRXFP1ALDH1A1
SCHEMBL28818196 0.77 S1PR3 (0.47) MGAMKDM4EPRNPRXFP1ALDH1A1
Anthracene SCHEMBL10416586 0.76 MGAM (0.49) MGAMKDM4EPRNPRXFP1ALDH1A1
SCHEMBL12915380 0.76 S1PR3 (0.49) MGAMKDM4EPRNPRXFP1ALDH1A1

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
WO-2009082346-A1 NEW ACETYL COENZYME A CARBOXYLASE (ACC) INHIBITORS AND USES IN TREATMENTS OF OBESITY AND DIABETES MELLITUS - 087 ASTRAZENECA AB (SE) 2009-07-02 WO claimed
WO-2009082346-A1 NEW ACETYL COENZYME A CARBOXYLASE (ACC) INHIBITORS AND USES IN TREATMENTS OF OBESITY AND DIABETES MELLITUS - 087 ASTRAZENECA AB (SE) 2009-07-02 WO disclosed