SCHEMBL8709267

SCHEMBL8709267

Cc1cc(O)c(/C(=N/OC(C)(C)C)c2ncccc2O)cc1Br

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 1/20 0.33
RXRA P19793 1/20 0.31
RXRB P28702 1/20 0.31
RXRG P48443 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GLA P06280 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31
GSK3B P49841 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
SCHEMBL8709269 1.00 GRM4 (0.33) GRM4RXRARXRBRXRGKDM4E
SCHEMBL8715534 0.91 GRM4 (0.34) GRM4RXRARXRBRXRGKDM4E
SCHEMBL8715537 0.91 GRM4 (0.34) GRM4RXRARXRBRXRGKDM4E
SCHEMBL8716308 0.87 GRM4 (0.32) GRM4RXRARXRBRXRGKDM4E
SCHEMBL8715536 0.87 GRM4 (0.32) GRM4RXRA
SCHEMBL8712365 0.87 GRM4 (0.32) GRM4KDM4E
SCHEMBL8716310 0.87 GRM4 (0.32) GRM4RXRARXRBRXRGKDM4E
SCHEMBL8712369 0.87 GRM4 (0.32) GRM4KDM4E
SCHEMBL8715540 0.87 GRM4 (0.32) GRM4RXRA
SCHEMBL8710525 0.85 GRM4 (0.32) GRM4RXRARXRBRXRGKDM4E

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