SCHEMBL16601559

SCHEMBL16601559

Cc1cc(I)ccc1Nc1ccc(ON)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.47
IDO1 P14902 2/20 0.38
MAP2K1 Q02750 4/20 0.36
PTK2 Q05397 1/20 0.34
TDP1 Q9NUW8 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
MAPT P10636 2/20 0.34
THRB P10828 2/20 0.34
RECQL P46063 2/20 0.34
RAB9A P51151 2/20 0.34
HTT P42858 1/20 0.34
MMP14 P50281 1/20 0.34
FGFR2 P21802 1/20 0.33
TNIK Q9UKE5 1/20 0.33
ADRA2A P08913 1/20 0.33
ADRA2C P18825 1/20 0.33
ADRA1D P25100 1/20 0.33

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
SCHEMBL16601551 0.77 MAPT (0.44) GAAIDO1TDP1MEN1KMT2A
SCHEMBL16601888 0.74 ALDH1A1 (0.44) GAAIDO1MAP2K1PTK2TDP1
SCHEMBL16601555 0.73 RAPGEF4 (0.49) GAATDP1MEN1KMT2AKDM4E
SCHEMBL16601554 0.73 ALDH1A1 (0.41) GAATDP1MEN1KMT2AKDM4E
SCHEMBL25634740 0.70 GAA (0.80) GAATDP1MEN1KMT2AKDM4E
SCHEMBL27563212 0.70 IDO1 (0.38) GAAIDO1MAP2K1PTK2TDP1
SCHEMBL6561965 0.69 IDO1 (0.40) GAAIDO1MAP2K1PTK2TDP1
SCHEMBL186343 0.69 NR4A1 (0.62) GAATDP1MEN1KMT2AKDM4E
SCHEMBL6999192 0.68 GAA (0.75) GAATDP1MEN1KMT2AKDM4E
SCHEMBL9629642 0.68 GAA (0.65) GAATDP1MEN1KMT2AKDM4E

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
US-8993086-B2 Recordable optical recording medium TAIYO YUDEN CO., LTD. (JP) 2015-03-31 US disclosed