SCHEMBL30713348

SCHEMBL30713348

COc1ccc(-c2nc(C=Cc3ccccc3)[nH]c2-c2ccc(OC)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.54
TP53 P04637 2/20 0.54
MAPK13 O15264 1/20 0.54
RAF1 P04049 1/20 0.54
MAPK12 P53778 1/20 0.54
MAPK11 Q15759 1/20 0.54
MAPK14 Q16539 1/20 0.54
KDM4E B2RXH2 5/20 0.54
TRPA1 O75762 1/20 0.53
KMT2A Q03164 4/20 0.52
MEN1 O00255 3/20 0.52
LMNA P02545 3/20 0.52
TDP1 Q9NUW8 3/20 0.52
HTT P42858 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
MAPK1 P28482 1/20 0.52
TUBB4A P04350 2/20 0.52
TUBB P07437 2/20 0.52
TUBA3C P0DPH7 2/20 0.52
TUBA1B P68363 2/20 0.52

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
SCHEMBL2125898 0.85 MAPK1 (0.53) MAPK13RAF1MAPK12MAPK11MAPK14
SCHEMBL2125895 0.85 MAPK1 (0.53) MAPK13RAF1MAPK12MAPK11MAPK14
SCHEMBL1481326 0.83 RELA (0.49) MAPTTP53MAPK13RAF1MAPK12
SCHEMBL1481328 0.83 RELA (0.49) MAPTTP53MAPK13RAF1MAPK12
SCHEMBL6468773 0.79 MAPK13 (0.59) MAPK13RAF1MAPK12MAPK11MAPK14
SCHEMBL6468772 0.79 MAPK13 (0.59) MAPK13RAF1MAPK12MAPK11MAPK14
SCHEMBL7088168 0.78 PTGS2 (0.64) ALDH1A1HPGD
SCHEMBL8104080 0.76 MAPK13 (0.86) MAPTTP53MAPK13RAF1MAPK12
SCHEMBL1308320 0.76 MAPK13 (0.86) MAPTTP53MAPK13RAF1MAPK12
SCHEMBL15400046 0.76 MAPK13 (0.86) MAPTTP53MAPK13RAF1MAPK12

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
US-20240000821-A1 CHEMICAL INHIBITORS AGAINST KINASES TO BLOCK TELOMERE ELONGATION IN CANCER UNIV JOHNS HOPKINS (US) 2024-01-04 US disclosed