SCHEMBL8710053

SCHEMBL8710053

Cc1ccc(O)c(C(=NOC(C)(C)C)c2ncccc2O)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.35
KMT2A Q03164 6/20 0.35
MEN1 O00255 5/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
KDM4E B2RXH2 4/20 0.35
TDP1 Q9NUW8 4/20 0.35
MAPK1 P28482 3/20 0.35
HTT P42858 3/20 0.35
NPC1 O15118 2/20 0.35
AGTR1 P30556 1/20 0.35
HSP90AA1 P07900 2/20 0.35
MMP14 P50281 1/20 0.35
CSNK2A1 P68400 1/20 0.35
GRM4 Q14833 1/20 0.34
L3MBTL1 Q9Y468 3/20 0.32
LMNA P02545 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
GAA P10253 1/20 0.32
RECQL P46063 1/20 0.32
ALDH1A1 P00352 4/20 0.32

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
SCHEMBL8710049 1.00 MAPT (0.35) MAPTKMT2AMEN1SMN1; SMN2KDM4E
SCHEMBL8711983 0.88 GSTA1 (0.41) MAPTKMT2AMEN1SMN1; SMN2KDM4E
SCHEMBL8711981 0.88 GSTA1 (0.41) MAPTKMT2AMEN1SMN1; SMN2KDM4E
SCHEMBL8772954 0.86 KCNMA1 (0.38) SMN1; SMN2HTTNPC1GRM4L3MBTL1
Hydrochloric Acid SCHEMBL8713280 0.86 GSTA1 (0.40) MAPTKMT2AMEN1KDM4ENPC1
Hydrochloric Acid SCHEMBL8713283 0.86 GSTA1 (0.40) MAPTKMT2AMEN1KDM4ENPC1
SCHEMBL8709311 0.86 ALDH1A1 (0.34) MAPTKDM4EHTTGRM4ALDH1A1
SCHEMBL8709309 0.86 ALDH1A1 (0.34) MAPTKDM4EHTTGRM4ALDH1A1
SCHEMBL8715533 0.86 MAPT (0.37) MAPTKMT2AMEN1SMN1; SMN2KDM4E
SCHEMBL8715532 0.86 MAPT (0.37) MAPTKMT2AMEN1SMN1; SMN2KDM4E

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