SCHEMBL8114159

SCHEMBL8114159

Nc1cc2cccnc2c2ncccc12.[O-][I+3]([O-])([O-])O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 5/20 0.54
HSP90AB1 P08238 3/20 0.54
CCR1 P32246 5/20 0.51
CCR8 P51685 5/20 0.51
L3MBTL1 Q9Y468 5/20 0.51
MAPT P10636 4/20 0.49
ALDH1A1 P00352 3/20 0.49
IDO1 P14902 1/20 0.47
PSMB5 P28074 1/20 0.47
MMP14 P50281 1/20 0.43
CCR5 P51681 3/20 0.42
KDM4E B2RXH2 3/20 0.42
LMNA P02545 2/20 0.42
NFKB1 P19838 2/20 0.42
HTT P42858 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
GMNN O75496 1/20 0.42
TP53 P04637 1/20 0.42
MMP2 P08253 1/20 0.42

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
SCHEMBL139256 0.90 CCR1 (0.61) HSP90AA1HSP90AB1CCR1CCR8L3MBTL1
SCHEMBL29535245 0.88 CCR1 (0.59) HSP90AA1HSP90AB1CCR1CCR8L3MBTL1
SCHEMBL29506435 0.88 CCR1 (0.59) HSP90AA1HSP90AB1CCR1CCR8L3MBTL1
SCHEMBL29506438 0.88 CCR1 (0.59) HSP90AA1HSP90AB1CCR1CCR8L3MBTL1
SCHEMBL9935892 0.88 CCR1 (0.59) HSP90AA1HSP90AB1CCR1CCR8L3MBTL1
SCHEMBL29589086 0.88 CCR1 (0.59) HSP90AA1HSP90AB1CCR1CCR8L3MBTL1
SCHEMBL15549459 0.88 CCR1 (0.59) HSP90AA1HSP90AB1CCR1CCR8L3MBTL1
SCHEMBL30839623 0.88 CCR1 (0.59) HSP90AA1HSP90AB1CCR1CCR8L3MBTL1
SCHEMBL28561521 0.88 CCR1 (0.59) HSP90AA1HSP90AB1CCR1CCR8L3MBTL1
Phenanthroline SCHEMBL8357993 0.85 CCR1 (0.57) HSP90AA1HSP90AB1CCR1CCR8L3MBTL1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0546563-B1 Complex crystal TOYOTA MOTOR CO LTD (JP) 2000-11-08 EP claimed
EP-0546563-A2 Complex crystal TOYOTA JIDOSHA KABUSHIKI KAISHA (JP) 1993-06-16 EP claimed
EP-0546563-B1 Complex crystal TOYOTA MOTOR CO LTD (JP) 2000-11-08 EP disclosed
US-5710273-A AND AN ANION OF TRIIODINE AND AN ACID, LIGHT ADJUSTING COMPONENT FOR AUTOMOBILE WINDSHIELDS TOYOTA JIDOSHA KABUSHIKI KAISHA (JP) 1998-01-20 US disclosed
US-5646284-A AUTOMOBILE WINDSHIELDS THAT SCREEN LIGHT TOYOTA JIDOSHA KABUSHIKI KAISHA (JP) 1997-07-08 US disclosed
EP-0546563-A2 Complex crystal TOYOTA JIDOSHA KABUSHIKI KAISHA (JP) 1993-06-16 EP disclosed