SCHEMBL29025968

SCHEMBL29025968

CCOC(=O)c1nc(C(C)c2ccc(OC)cc2)oc1OCC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TARBP2 Q15633 2/20 0.50
PDCD4 Q53EL6 1/20 0.50
NPBWR1 P48145 1/20 0.45
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
MAPT P10636 2/20 0.43
HSP90AA1 P07900 1/20 0.43
GAA P10253 3/20 0.42
POLB P06746 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 5/20 0.39
KDM4E B2RXH2 3/20 0.39
MAOB P27338 2/20 0.39
HPGD P15428 2/20 0.39
CA12 O43570 1/20 0.39
CA2 P00918 1/20 0.39
GLA P06280 1/20 0.39
CA3 P07451 1/20 0.39
CA4 P22748 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
SCHEMBL5192166 0.79 TARBP2 (0.75) TARBP2PDCD4NPC1RAB9AMAPT
SCHEMBL29025982 0.78 KDM4E (0.41) NPC1RAB9AMAPTPOLBSMN1; SMN2
SCHEMBL29025990 0.76 KDM4E (0.40) NPC1RAB9AMAPTPOLBSMN1; SMN2
SCHEMBL28356202 0.76 TARBP2 (0.51) TARBP2PDCD4NPC1RAB9AMAPT
SCHEMBL28352445 0.73 KDM4E (0.37) NPC1RAB9AMAPTPOLBSMN1; SMN2
SCHEMBL29025979 0.73 LTA4H (0.41) NPC1RAB9AMAPTGAASMN1; SMN2
SCHEMBL28356105 0.71 HEXA (0.37) NPBWR1MAPTPOLBALDH1A1KDM4E
SCHEMBL12426320 0.70 FBP1 (0.44) TARBP2PDCD4NPC1RAB9AMAPT
SCHEMBL29025969 0.69 KDM4E (0.57) NPC1RAB9AMAPTPOLBSMN1; SMN2
SCHEMBL28295529 0.68 TARBP2 (0.73) TARBP2PDCD4NPBWR1NPC1RAB9A

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
CN-110770209-B Novel 5-hydroxypyridine compounds useful as P2X1 and P2X3 receptor antagonists and pharmaceutical compositions containing the same 光州科学技术院 2023-06-30 CN disclosed