SCHEMBL4789265

SCHEMBL4789265

O=C(O)c1ccc2c(=O)n(-c3ccccc3)n(C3CCCCC3)c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.43
GAA P10253 2/20 0.43
HCAR3 P49019 3/20 0.43
KDM4E B2RXH2 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
NPSR1 Q6W5P4 1/20 0.39
PARP1 P09874 1/20 0.39
MEN1 O00255 2/20 0.38
NPC1 O15118 2/20 0.38
KMT2A Q03164 2/20 0.38
RAB9A P51151 1/20 0.38
KMO O15229 1/20 0.38
FGFR1 P11362 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
GLA P06280 1/20 0.38
HPGD P15428 1/20 0.38
OGFRL1 Q5TC84 1/20 0.38
FABP4 P15090 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL4789624 0.90 HSD17B10 (0.46) HSD17B10GAAHCAR3KDM4EL3MBTL1
SCHEMBL14023660 0.82 NPSR1 (0.36) GAAKDM4ENPSR1MEN1KMT2A
SCHEMBL14023608 0.82 MAPK8 (0.39) GAAKDM4EL3MBTL1NPSR1ALDH1A1
SCHEMBL14023674 0.82 ALDH1A1 (0.37) GAAKDM4ENPSR1MEN1NPC1
SCHEMBL14023791 0.82 KDM4E (0.44) GAAKDM4ENPSR1MEN1KMT2A
SCHEMBL14023630 0.81 GAA (0.44) HSD17B10GAAHCAR3L3MBTL1NPSR1
SCHEMBL14023587 0.81 NPC1 (0.51) HSD17B10GAAKDM4EPARP1MEN1
SCHEMBL4789623 0.80 G6PD (0.43) HSD17B10KDM4ENPSR1ALDH1A1HPGD
SCHEMBL14023601 0.80 MEN1 (0.46) GAAKDM4EL3MBTL1NPSR1MEN1
SCHEMBL4788945 0.78 ALDH1A1 (0.48) KDM4EL3MBTL1NPSR1MEN1NPC1

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-2008141385-A1 VIRAL POLYMERASE INHIBITORS BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2008-11-27 WO disclosed
WO-2008141385-A1 VIRAL POLYMERASE INHIBITORS BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2008-11-27 WO disclosed