SCHEMBL8554617

SCHEMBL8554617

CC(=O)CCc1cn(Cc2ccccc2Cl)c2cc(C(N)=O)ccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.52
TP53 P04637 2/20 0.50
SLC22A12 Q96S37 2/20 0.47
LMNA P02545 2/20 0.44
MAP3K14 Q99558 1/20 0.44
GAA P10253 1/20 0.44
GFER P55789 1/20 0.44
ADRA1D P25100 1/20 0.44
RXFP1 Q9HBX9 1/20 0.42
NPSR1 Q6W5P4 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP19A1 P11511 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40

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
SCHEMBL8554268 0.88 MAPT (0.51) MAPTTP53SLC22A12LMNARXFP1
SCHEMBL7418699 0.80 GAA (0.56) MAPTSLC22A12LMNAMAP3K14GAA
SCHEMBL7425158 0.80 GAA (0.53) MAPTTP53SLC22A12LMNAMAP3K14
SCHEMBL7470357 0.79 MAPT (0.48) MAPTSLC22A12LMNAMAP3K14GAA
SCHEMBL7419442 0.79 MAPT (0.48) MAPTSLC22A12LMNAMAP3K14GAA
SCHEMBL7421449 0.79 SMN1; SMN2 (0.56) MAPTSLC22A12LMNAMAP3K14GAA
SCHEMBL7421590 0.77 GAA (0.53) MAPTTP53SLC22A12LMNAMAP3K14
SCHEMBL1995112 0.76 GAA (0.53) MAPTSLC22A12LMNAMAP3K14GAA
SCHEMBL11830899 0.74 MAPT (0.56) MAPTTP53SLC22A12LMNAGAA
SCHEMBL10782499 0.73 SLC6A4 (0.48) LMNAALDH1A1MEN1KMT2ASMN1; SMN2

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-0820441-A1 INDOLE DERIVATIVES AS cGMP-PDE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-01-28 EP disclosed