SCHEMBL6118554

SCHEMBL6118554

COc1ccc(-c2ccc3nnc(-c4ccc(OC)cc4OC)n3c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 2/20 0.53
TDP1 Q9NUW8 4/20 0.50
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
PDE4A P27815 1/20 0.47
PDE4B Q07343 1/20 0.47
PDE4C Q08493 1/20 0.47
PDE4D Q08499 1/20 0.47
MAPK14 Q16539 1/20 0.46
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
LRRK2 Q5S007 2/20 0.45
HPGD P15428 1/20 0.45
HSD17B10 Q99714 1/20 0.45
CYP1A1 P04798 2/20 0.44
CYP1B1 Q16678 2/20 0.44
MET P08581 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2E1 P05181 1/20 0.43
CYP3A4 P08684 1/20 0.43

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
SCHEMBL6118869 0.92 SCN5A (0.51) SCN5ATDP1MEN1KMT2APDE4A
Hydrochloric Acid SCHEMBL6118997 0.91 SCN5A (0.50) SCN5ATDP1MEN1KMT2APDE4A
SCHEMBL6118353 0.90 MAPK14 (0.53) SCN5ATDP1MEN1KMT2APDE4A
SCHEMBL6118927 0.90 SCN5A (0.49) SCN5ATDP1MEN1KMT2APDE4A
SCHEMBL6118393 0.90 SCN5A (0.49) SCN5ATDP1MEN1KMT2APDE4A
SCHEMBL6118125 0.90 SCN5A (0.49) SCN5ATDP1MEN1KMT2APDE4A
SCHEMBL6118604 0.90 KDM4E (0.54) SCN5ATDP1MEN1KMT2APDE4A
SCHEMBL6119042 0.90 SCN5A (0.53) SCN5ATDP1MEN1KMT2APDE4A
Hydrochloric Acid SCHEMBL6118909 0.89 SCN5A (0.48) SCN5ATDP1MEN1KMT2APDE4A
Hydrochloric Acid SCHEMBL6119048 0.89 SCN5A (0.48) SCN5ATDP1MEN1KMT2APDE4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9199983-B2 3-aryl-6-aryl-[1,2,4]triazolo[4,3-α]pyridines as inhibitors of cell proliferation and the use thereof CAI SUIXIONG (CN) 2015-12-01 US claimed
WO-2012065297-A1 3-ARYL-6-ARYL-[1,2,4]TRIAZOLO[4,3-a]PYRIDINES AS INHIBITORS OF CELL PROLIFERATION AND THE USE THEREOF IMPACT THERAPEUTICS, INC. (CN) 2012-05-24 WO claimed
US-9199983-B2 3-aryl-6-aryl-[1,2,4]triazolo[4,3-α]pyridines as inhibitors of cell proliferation and the use thereof CAI SUIXIONG (CN) 2015-12-01 US disclosed
WO-2012065297-A1 3-ARYL-6-ARYL-[1,2,4]TRIAZOLO[4,3-a]PYRIDINES AS INHIBITORS OF CELL PROLIFERATION AND THE USE THEREOF IMPACT THERAPEUTICS, INC. (CN) 2012-05-24 WO disclosed
WO-2012065546-A1 3-ARYL-6-ARYL-[1,2,4]TRIAZOLO[4,3-a]PYRIDINES AS INHIBITORS OF CELL PROLIFERATION AND THE USE THEREOF IMPACT THERAPEUTICS, INC. (CN) 2012-05-24 WO disclosed