SCHEMBL1503216

SCHEMBL1503216

NC(=O)c1ncc(OCc2ccccc2)c(CO)c1OCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 1/20 0.43
KDM4E B2RXH2 1/20 0.42
HTT P42858 1/20 0.41
AOC3 Q16853 1/20 0.41
PARP1 P09874 1/20 0.41
PTPN1 P18031 1/20 0.40
MAP4K4 O95819 1/20 0.40
PDE4D Q08499 1/20 0.39
PPIA P62937 1/20 0.39
PLAU P00749 1/20 0.39
P4HTM Q9NXG6 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL27926498 0.87 PARP10 (0.43) PARP10KDM4EHTTPARP1PDE4D
SCHEMBL1503118 0.80 PARP10 (0.44) PARP10KDM4EPTPN1PLAUL3MBTL1
SCHEMBL2264921 0.78 PTPN1 (0.48) PARP10KDM4EPTPN1PDE4DMAPT
SCHEMBL12444294 0.77 P4HTM (0.44) KDM4EPDE4DP4HTM
SCHEMBL24257791 0.74 PTPN1 (0.49) PTPN1P4HTMMAPTMAPK1TDP1
SCHEMBL15064968 0.74 AOC3 (0.59) AOC3P4HTMMAPTMAPK1TDP1
SCHEMBL2220214 0.73 NPC1 (0.48) KDM4E
SCHEMBL9741052 0.72 KDM4E (0.48) PARP10KDM4EMAP4K4P4HTM
SCHEMBL13577662 0.72 EGLN1 (0.42) PARP10KDM4EHTTP4HTMMAPT
SCHEMBL2840715 0.72 LTA4H (0.59) PARP10HTTPARP1PPIA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8742123-B2 HIV integrase inhibitors from pyridoxine TAIMED BIOLOGICS, INC. (TW) 2014-06-03 US disclosed
EP-2300433-A1 HIV INTEGRASE INHIBITORS FROM PYRIDOXINE Ambrilia Biopharma Inc. (CA) 2011-03-30 EP disclosed
WO-2009146555-A1 HIV INTEGRASE INHIBITORS FROM PYRIDOXINE AMBRILIA BIOPHARMA INC. (CA) 2009-12-10 WO disclosed