SCHEMBL16623331

SCHEMBL16623331

CNc1ccc(-c2nc3ccc(OC)cc3s2)c(OC)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 7/20 0.69
MEN1 O00255 1/20 0.52
NPC1 O15118 1/20 0.52
MAPT P10636 1/20 0.52
RAB9A P51151 1/20 0.52
KMT2A Q03164 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
TUBB4A P04350 1/20 0.51
TUBB P07437 1/20 0.51
TUBA3C P0DPH7 1/20 0.51
TUBA1B P68363 1/20 0.51
TUBA4A P68366 1/20 0.51
TUBB4B P68371 1/20 0.51
TUBB3 Q13509 1/20 0.51
TUBB2A Q13885 1/20 0.51
TUBB8 Q3ZCM7 1/20 0.51
TUBA3E Q6PEY2 1/20 0.51
TUBA1A Q71U36 1/20 0.51
TUBA1C Q9BQE3 1/20 0.51
TUBB6 Q9BUF5 1/20 0.51

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
SCHEMBL4604363 0.85 MAPT (0.67) APPMEN1NPC1MAPTRAB9A
SCHEMBL1984364 0.83 RAB9A (0.64) MEN1NPC1MAPTRAB9AKMT2A
SCHEMBL1982972 0.82 APP (0.67) APPTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL13806240 0.82 APP (0.67) APPMAPTTUBB4ATUBBTUBA3C
SCHEMBL5756283 0.82 APP (0.55) APPTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL14199907 0.82 APP (1.00) APPMAPTGLAGAA
SCHEMBL12974135 0.82 APP (1.00) APPMAPTGLAGAA
SCHEMBL2061418 0.82 APP (1.00) APPMAPTGLAGAA
SCHEMBL5423500 0.80 TUBB4A (0.62) APPMEN1NPC1MAPTRAB9A
SCHEMBL12509554 0.80 TP53 (0.59) MEN1NPC1MAPTRAB9AKMT2A

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
EP-2338059-B1 Ligands for aggregated tau molecules WISTA LAB LTD (SG) 2015-04-08 EP disclosed