SCHEMBL3909707

SCHEMBL3909707

O=c1[nH]n(F)c(=O)n1-c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 5/20 0.52
GSK3B P49841 5/20 0.52
GAA P10253 2/20 0.52
NTRK1 P04629 1/20 0.46
IGF1R P08069 1/20 0.46
FGFR1 P11362 1/20 0.46
NTRK3 Q16288 1/20 0.46
NTRK2 Q16620 1/20 0.46
MAPK1 P28482 1/20 0.45
PGR P06401 3/20 0.43
TSHR P16473 2/20 0.41
MAPK10 P53779 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
KMT2A Q03164 2/20 0.41
MPI P34949 1/20 0.40
PDE7A Q13946 1/20 0.39
PDE7B Q9NP56 1/20 0.39
MEN1 O00255 1/20 0.39

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
SCHEMBL264757 0.78 GSK3A (0.54) GSK3AGSK3BGAANTRK1IGF1R
SCHEMBL5326615 0.76 GSK3A (0.55) GSK3AGSK3BGAANTRK1IGF1R
SCHEMBL23895082 0.74 GSK3A (0.50) GSK3AGSK3BGAANTRK1IGF1R
SCHEMBL5198556 0.74 NTRK1 (0.72) GSK3AGSK3BGAANTRK1IGF1R
SCHEMBL3907921 0.72 GSK3A (0.47) GSK3AGSK3BGAANTRK1IGF1R
SCHEMBL29323648 0.72 GSK3A (0.47) GSK3AGSK3BGAANTRK1IGF1R
SCHEMBL13562509 0.72 PGR (0.51) GSK3AGSK3BGAANTRK1IGF1R
SCHEMBL265665 0.72 GAA (0.50) GSK3AGSK3BGAANTRK1IGF1R
SCHEMBL13562510 0.71 PGR (0.53) GSK3AGSK3BGAANTRK1IGF1R
SCHEMBL3906792 0.71 GSK3A (0.46) GSK3AGSK3BGAANTRK1IGF1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101500534-A Compositions comprising betulonic acid VALTION TEKNILLINEN (FI) 2009-08-05 CN claimed
EP-2037872-A2 COMPOSITIONS COMPRISING BETULONIC ACID Valtion Teknillinen Tutkimuskeskus (FI) 2009-03-25 EP claimed
EP-2024384-A1 BETULIN DERIVED COMPOUNDS USEFUL AS ANTIPROTOZOAL AGENTS Valtion Teknillinen Tutkimuskeskus (FI) 2009-02-18 EP claimed
WO-2007141391-A1 BETULIN DERIVED COMPOUNDS USEFUL AS ANTIPROTOZOAL AGENTS VALTION TEKNILLINEN TUTKIMUSKESKUS (FI) 2007-12-13 WO claimed
WO-2007141392-A2 COMPOSITIONS COMPRISING BETULONIC ACID VALTION TEKNILLINEN TUTKIMUSKESKUS (FI) 2007-12-13 WO claimed
CN-101500534-A Compositions comprising betulonic acid VALTION TEKNILLINEN (FI) 2009-08-05 CN disclosed
EP-2024385-A1 BETULIN DERIVED COMPOUNDS USEFUL AS ANTIBACTERIAL AGENTS Valtion Teknillinen Tutkimuskeskus (FI) 2009-02-18 EP disclosed
EP-2024384-A1 BETULIN DERIVED COMPOUNDS USEFUL AS ANTIPROTOZOAL AGENTS Valtion Teknillinen Tutkimuskeskus (FI) 2009-02-18 EP disclosed
WO-2007141391-A1 BETULIN DERIVED COMPOUNDS USEFUL AS ANTIPROTOZOAL AGENTS VALTION TEKNILLINEN TUTKIMUSKESKUS (FI) 2007-12-13 WO disclosed
WO-2007141389-A1 BETULIN DERIVED COMPOUNDS USEFUL AS ANTIBACTERIAL AGENTS VALTION TEKNILLINEN TUTKIMUSKESKUS (FI) 2007-12-13 WO disclosed