SCHEMBL8709782

SCHEMBL8709782

COCOc1cc(C#N)c(Cl)cc1C(=O)c1ncccc1OC

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 2/20 0.40
XDH P47989 1/20 0.39
S1PR1 P21453 1/20 0.38
S1PR3 Q99500 1/20 0.38
RAB9A P51151 4/20 0.36
NPC1 O15118 2/20 0.36
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
RECQL P46063 1/20 0.35
GRM4 Q14833 1/20 0.35
MRGPRX4 Q96LA9 2/20 0.35
SRC P12931 1/20 0.35

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
SCHEMBL8709273 0.92 XDH (0.40) SLC22A12XDHS1PR1S1PR3RAB9A
SCHEMBL8709829 0.83 XDH (0.40) XDHS1PR1S1PR3RAB9ANPC1
SCHEMBL8710246 0.83 XDH (0.40) XDHRAB9ANPC1LMNAGRM4
SCHEMBL8712836 0.79 MAPK8 (0.37) RAB9ANPC1HPGDSMN1; SMN2MEN1
SCHEMBL8710268 0.79 XDH (0.43) XDHRAB9ANPC1MEN1KMT2A
SCHEMBL8712687 0.78 POLB (0.38) RAB9ANPC1MEN1KMT2APOLB
SCHEMBL8710521 0.78 CNR2 (0.36) RAB9AMEN1KMT2ALMNAPOLB
SCHEMBL8713114 0.78 CLCN2 (0.39) POLB
SCHEMBL8715277 0.77 CLCN2 (0.38) RAB9AMEN1KMT2ALMNAPOLB
SCHEMBL8713191 0.77 MAPK8 (0.39) RAB9ANPC1HPGDSMN1; SMN2MEN1

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