SCHEMBL8714262

SCHEMBL8714262

CC(C)(C)O/N=C(\c1cc(F)c(F)cc1O)c1ncccc1O

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 2/20 0.34
TLR7 Q9NYK1 3/20 0.32
RXRA P19793 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2B Q13224 1/20 0.31
CSF1R P07333 1/20 0.30
RET P07949 1/20 0.30
PDGFRB P09619 1/20 0.30
KIT P10721 1/20 0.30
PDGFRA P16234 1/20 0.30
FLT3 P36888 1/20 0.30
KDM4E B2RXH2 2/20 0.30
ALDH1A1 P00352 1/20 0.30
KMT2A Q03164 1/20 0.30
MPI P34949 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL8713277 1.00 GRM4 (0.34) GRM4TLR7RXRAGRIN1GRIN2B
SCHEMBL8713273 1.00 GRM4 (0.34) GRM4TLR7RXRAGRIN1GRIN2B
SCHEMBL8715540 0.92 GRM4 (0.32) GRM4TLR7RXRAGRIN1GRIN2B
SCHEMBL8716308 0.92 GRM4 (0.32) GRM4TLR7RXRAGRIN1GRIN2B
SCHEMBL8710526 0.92 GRM4 (0.32) GRM4TLR7RXRAGRIN1GRIN2B
SCHEMBL8716310 0.92 GRM4 (0.32) GRM4TLR7RXRAGRIN1GRIN2B
SCHEMBL8715536 0.92 GRM4 (0.32) GRM4TLR7RXRAGRIN1GRIN2B
SCHEMBL8710525 0.92 GRM4 (0.32) GRM4TLR7RXRAGRIN1GRIN2B
SCHEMBL8713209 0.91 GRM4 (0.32) GRM4TLR7RXRAGRIN1GRIN2B
SCHEMBL8710286 0.91 GRM4 (0.32) GRM4TLR7RXRAGRIN1GRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5716971-A FOR TREATMENT OF ANGINA PECTORIS AND HYPERTENSION TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-02-10 US disclosed
EP-0623597-B1 Pyridine derivatives, with potassium channel opening activity TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1997-10-22 EP disclosed
EP-0623597-A1 Pyridine derivatives, with potassium channel opening activity Takeda Chemical Industries, Ltd. (JP) 1994-11-09 EP disclosed