SCHEMBL9306692

SCHEMBL9306692

COc1cc(Oc2ccc(Oc3cccc(C(F)(F)F)c3)cc2)nc(OC)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.51
L3MBTL1 Q9Y468 5/20 0.48
MAPK1 P28482 2/20 0.47
LMNA P02545 1/20 0.47
KDR P35968 1/20 0.47
MAPK14 Q16539 1/20 0.47
TNNI3K Q59H18 1/20 0.47
LTA4H P09960 1/20 0.45
ALDH1A1 P00352 2/20 0.44
POLB P06746 1/20 0.44
GAA P10253 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
PDE4B Q07343 1/20 0.42
PPP1CA P62136 1/20 0.42
KMT2A Q03164 1/20 0.42
EDNRB P24530 1/20 0.42
EDNRA P25101 1/20 0.42
TEAD1 P28347 1/20 0.42
NTRK1 P04629 1/20 0.41
NPSR1 Q6W5P4 2/20 0.41

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
SCHEMBL8664724 0.81 ALDH1A1 (0.46) MAPTL3MBTL1MAPK1ALDH1A1POLB
SCHEMBL7013398 0.81 MAPT (0.50) MAPTL3MBTL1MAPK1ALDH1A1POLB
SCHEMBL8773209 0.80 MAPT (0.58) MAPTL3MBTL1MAPK1LMNAALDH1A1
SCHEMBL8670000 0.80 LMNA (0.55) MAPTL3MBTL1MAPK1LMNAKDR
SCHEMBL12825474 0.78 KDR (0.62) MAPTL3MBTL1MAPK1KDRMAPK14
SCHEMBL27579381 0.78 LTA4H (0.59) MAPTL3MBTL1MAPK1MAPK14LTA4H
SCHEMBL7107314 0.77 MAPT (0.52) MAPTL3MBTL1MAPK1ALDH1A1POLB
SCHEMBL7871694 0.76 PTGS1 (0.48) MAPTL3MBTL1LMNATDP1PDE4B
SCHEMBL8773213 0.76 MAPT (0.48) MAPTL3MBTL1MAPK1LMNAALDH1A1
SCHEMBL8507324 0.76 MAPT (0.56) MAPTL3MBTL1MAPK1LMNAALDH1A1

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
JP-6073022-A None JP disclosed
JP-H0673022-A PYRIMIDINE OR TRIAZINE DERIVATIVE AND HERBICIDE KUMIAI CHEM IND CO LTD 1994-03-15 JP disclosed