SCHEMBL5806550

SCHEMBL5806550

COc1ccc(C(=O)c2c[nH]c(-c3ccc(C)c(-c4ccccc4OC)c3)n2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.40
ALDH1A1 P00352 3/20 0.40
ABL1 P00519 2/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
PDE10A Q9Y233 1/20 0.38
MAPT P10636 2/20 0.38
NPC1 O15118 2/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
TUBB4A P04350 1/20 0.38
TUBB P07437 1/20 0.38
TUBA3C P0DPH7 1/20 0.38
TUBA1B P68363 1/20 0.38
TUBA4A P68366 1/20 0.38
TUBB4B P68371 1/20 0.38
TUBB3 Q13509 1/20 0.38
TUBB2A Q13885 1/20 0.38
TUBB8 Q3ZCM7 1/20 0.38
TUBA3E Q6PEY2 1/20 0.38

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
SCHEMBL5803521 0.85 DHODH (0.43) ABL1MAPTNPSR1MEN1KMT2A
SCHEMBL5804196 0.82 PDGFRB (0.44) ALDH1A1MAPTNPC1HTTRAB9A
SCHEMBL5802708 0.82 ALOX5 (0.42) SMN1; SMN2MAPTHTTRAB9AKMT2A
SCHEMBL724190 0.79 ALDH1A1 (0.54) SMN1; SMN2ALDH1A1CYP11B1CYP11B2MAPT
SCHEMBL723344 0.77 MAPT (0.47) SMN1; SMN2ALDH1A1MAPTNPC1RAB9A
SCHEMBL5801973 0.76 HTR7 (0.44) MAPK14S1PR1
SCHEMBL723931 0.75 TUBB1 (0.57) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL771455 0.74 AAK1 (0.53) SMN1; SMN2ALDH1A1PDE10AMAPTNPC1
SCHEMBL724076 0.72 CYP1A2 (0.51) ALDH1A1MAPTNPC1HTTAAK1
SCHEMBL724565 0.71 MAPT (0.44) SMN1; SMN2ALDH1A1MAPTNPC1HTT

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
EP-1723117-A2 ION CHANNEL MODULATORS Wyeth a Corporation of the State of Delaware (US) 2006-11-22 EP disclosed
WO-2005086836-A2 ION CHANNEL MODULATORS WYETH (US) 2005-09-22 WO disclosed