SCHEMBL6689404

SCHEMBL6689404

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

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 2/20 0.59
MAPT P10636 4/20 0.47
KDM4E B2RXH2 1/20 0.47
PIM1 P11309 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
ALOX15 P16050 1/20 0.45
MAPK1 P28482 1/20 0.45
CASP1 P29466 1/20 0.45
CASP7 P55210 1/20 0.45
HSD17B10 Q99714 1/20 0.45
DYRK1A Q13627 1/20 0.43
PBRM1 Q86U86 2/20 0.42
FGFR1 P11362 1/20 0.36
FLT1 P17948 1/20 0.36
KDR P35968 1/20 0.36
FABP4 P15090 2/20 0.36
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
NR4A1 P22736 1/20 0.34
NR4A2 P43354 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
SCHEMBL6689410 1.00 GFER (0.59) GFERMAPTKDM4EPIM1TDP1
SCHEMBL6690508 0.85 GFER (0.42) GFERMAPTKDM4EPIM1ALOX15
SCHEMBL6684235 0.85 GFER (0.42) GFERMAPTKDM4EPIM1ALOX15
SCHEMBL6695622 0.82 GFER (0.63) GFERMAPTKDM4EPIM1TDP1
SCHEMBL4972251 0.77 GFER (0.94) GFERMAPTKDM4EPIM1TDP1
SCHEMBL3941869 0.75 GFER (1.00) GFERMAPTKDM4EPIM1TDP1
SCHEMBL30317424 0.75 GFER (1.00) GFERMAPTKDM4EPIM1TDP1
SCHEMBL6683286 0.73 GFER (0.97) GFERMAPTKDM4EPIM1TDP1
SCHEMBL4281540 0.73 KDM4E (0.44) GFERMAPTKDM4EHSD17B10MEN1
SCHEMBL4281532 0.73 KDM4E (0.44) GFERMAPTKDM4EHSD17B10MEN1

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