SCHEMBL7386552

SCHEMBL7386552

[CH2]CCNc1nccc(C(F)(F)F)n1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.57
PLK1 P53350 1/20 0.47
KDM4E B2RXH2 1/20 0.47
SYK P43405 12/20 0.43
TDP1 Q9NUW8 1/20 0.43
TAS2R14 Q9NYV8 2/20 0.43
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL7381202 0.90 PKM (0.54) PKMPLK1KDM4ESYKTDP1
SCHEMBL8134779 0.83 PKM (0.57) PKMPLK1KDM4ESYKTDP1
SCHEMBL12963477 0.83 PKM (0.57) PKMPLK1KDM4ESYKTDP1
SCHEMBL14310598 0.82 PKM (0.59) PKMPLK1KDM4ESYKTDP1
SCHEMBL8350149 0.79 PKM (0.52) PKMPLK1KDM4ESYKTAS2R14
SCHEMBL13879819 0.79 PKM (0.52) PKMKDM4ESYKTDP1MAPT
SCHEMBL12932877 0.77 HRH4 (0.50) PKMPLK1KDM4ESYKGAA
SCHEMBL15353082 0.75 HRH4 (0.50) PKMPLK1KDM4ESYKTDP1
SCHEMBL6636158 0.75 PKM (0.52) PKMPLK1KDM4ESYKTDP1
SCHEMBL17700454 0.74 IDH1 (0.57) PKMSYK

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
EP-1019386-A1 REVERSE HYDROXAMATE DERIVATIVES AS METALLOPROTEASE INHIBITORS GLAXO GROUP LIMITED (GB) 2000-07-19 EP disclosed
WO-1998038179-A1 REVERSE HYDROXAMATE DERIVATIVES AS METALLOPROTEASE INHIBITORS GLAXO GROUP LIMITED (GB) 1998-09-03 WO disclosed