SCHEMBL18404249

SCHEMBL18404249

CCOCCn1c(C=O)nc2cc(N)c(Oc3ccc(F)cc3)cc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.34
KDM4E B2RXH2 2/20 0.34
HSD17B10 Q99714 1/20 0.34
CACNA1C Q13936 1/20 0.33
TRPC6 Q9Y210 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MAPK1 P28482 1/20 0.33
LMNA P02545 1/20 0.33
RAB9A P51151 1/20 0.33
MMP13 P45452 2/20 0.32
MMP14 P50281 2/20 0.32
MEN1 O00255 1/20 0.32
TSHR P16473 1/20 0.32
KMT2A Q03164 1/20 0.32
PDE5A O76074 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HTT P42858 1/20 0.31
NCOA3 Q9Y6Q9 1/20 0.31
NCF1 P14598 2/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL12210252 0.90 KDM4E (0.35) SCN9AKDM4EHSD17B10SMN1; SMN2LMNA
SCHEMBL15060795 0.88 MTNR1A (0.34) SCN9AKDM4EHSD17B10SMN1; SMN2LMNA
SCHEMBL13273917 0.85 PPARG (0.41) KDM4EHSD17B10SMN1; SMN2LMNARAB9A
SCHEMBL18404401 0.79 LMNA (0.41) KDM4EHSD17B10SMN1; SMN2LMNARAB9A
SCHEMBL15060784 0.78 PDE5A (0.37) KDM4EHSD17B10SMN1; SMN2MEN1TSHR
SCHEMBL12210145 0.77 MCHR1 (0.45) KDM4ESMN1; SMN2LMNARAB9AMEN1
SCHEMBL12210495 0.77 KDM4E (0.38) KDM4EHSD17B10SMN1; SMN2KMT2APDE5A
SCHEMBL13273928 0.76 HSP90AA1 (0.37) KDM4EHSD17B10SMN1; SMN2LMNAPDE5A
SCHEMBL12212023 0.75 ACSS2 (0.47) KDM4EHSD17B10SMN1; SMN2LMNARAB9A
SCHEMBL15061690 0.74 PDE5A (0.35) KDM4EHSD17B10MEN1KMT2APDE5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2380881-B1 NOVEL BICYCLIC HETEROCYCLIC COMPOUND SUMITOMO DAINIPPON PHARMA CO LTD (JP) 2017-01-25 EP disclosed