SCHEMBL6690508

SCHEMBL6690508

COC(=O)c1cccc2c3c([nH]c12)CCC/C3=N\O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.42
HSD17B10 Q99714 2/20 0.41
ALOX15 P16050 1/20 0.41
MAPK1 P28482 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
PIM1 P11309 1/20 0.41
PIM3 Q86V86 1/20 0.41
MAPT P10636 5/20 0.41
HTT P42858 3/20 0.40
TSHR P16473 2/20 0.40
DYRK1A Q13627 1/20 0.40
MEN1 O00255 1/20 0.40
MAPK10 P53779 1/20 0.40
KMT2A Q03164 1/20 0.40
PTK2B Q14289 1/20 0.40
NCOA1 Q15788 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
NCOA3 Q9Y6Q9 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
SCHEMBL6684235 1.00 GFER (0.42) GFERHSD17B10ALOX15MAPK1CASP1
SCHEMBL6689404 0.85 GFER (0.59) GFERHSD17B10ALOX15MAPK1CASP1
SCHEMBL6689410 0.85 GFER (0.59) GFERHSD17B10ALOX15MAPK1CASP1
SCHEMBL1657531 0.84 DYRK1A (0.58) GFERHSD17B10ALOX15MAPK1CASP1
SCHEMBL6624747 0.77 GFER (0.70) GFERHSD17B10ALOX15MAPK1CASP1
SCHEMBL6683973 0.76 GFER (0.68) GFERHSD17B10ALOX15MAPK1CASP1
SCHEMBL1658817 0.76 CDC7 (0.45) GFERHSD17B10ALOX15MAPK1CASP1
SCHEMBL6695587 0.71 FABP4 (0.50) HSD17B10MAPK1MAPTHTTTSHR
SCHEMBL6695590 0.71 FABP4 (0.50) HSD17B10MAPK1MAPTHTTTSHR
SCHEMBL12764963 0.71 GFER (0.47) GFERHSD17B10ALOX15MAPK1CASP1

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
WO-2004063156-A1 NOVEL INDOLE DERIVATES AS FABP-4 INHIBITORS BIOVITRUM AB (SE) 2004-07-29 WO disclosed