SCHEMBL8713091

SCHEMBL8713091

COCOc1ccc(OC(F)(F)F)cc1C(=O)c1ncccc1C#N

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.39
SCN8A Q9UQD0 2/20 0.37
SCN10A Q9Y5Y9 2/20 0.37
RAB9A P51151 1/20 0.36
TLR7 Q9NYK1 1/20 0.36
ACACB O00763 1/20 0.36
LCLAT1 Q6UWP7 1/20 0.36
DHODH Q02127 1/20 0.35
RUNX1 Q01196 1/20 0.35
ELANE P08246 1/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
KMT2A Q03164 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL8710186 0.91 XDH (0.39) XDHRAB9AKDM4EALDH1A1LMNA
SCHEMBL8716474 0.86 SCN8A (0.39) SCN8ASCN10ARAB9ATLR7LCLAT1
SCHEMBL8710268 0.83 XDH (0.43) XDHRAB9AMEN1KMT2AMAPT
SCHEMBL8709829 0.76 XDH (0.40) XDHRAB9ADHODHLMNA
SCHEMBL8710246 0.74 XDH (0.40) XDHRAB9AKDM4EALDH1A1LMNA
SCHEMBL8709273 0.74 XDH (0.40) XDHRAB9AKDM4EALDH1A1MEN1
SCHEMBL8709782 0.73 SLC22A12 (0.40) XDHRAB9AMEN1LMNAKMT2A
SCHEMBL8709890 0.69 RAB9A (0.37) RAB9ADHODHKDM4EALDH1A1
SCHEMBL8709054 0.69 CYP3A4 (0.47) KDM4EALDH1A1MAPT
SCHEMBL8709849 0.69 TLR7 (0.36) SCN8ASCN10ATLR7DHODHRUNX1

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