SCHEMBL8112817

SCHEMBL8112817

Cc1cc2cccnc2c2ncccc12.[O-][I+3]([O-])([O-])O

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 6/20 0.81
CCR8 P51685 6/20 0.81
L3MBTL1 Q9Y468 5/20 0.54
CCR5 P51681 4/20 0.54
ALDH1A1 P00352 3/20 0.49
MAPT P10636 3/20 0.49
HTT P42858 3/20 0.47
SLC6A2 P23975 1/20 0.47
HSP90AA1 P07900 2/20 0.47
NPC1 O15118 1/20 0.47
DYRK1A Q13627 1/20 0.44
PSMD14 O00487 2/20 0.44
COPS5 Q92905 2/20 0.44
LMNA P02545 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
KDM4E B2RXH2 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
SCHEMBL371564 0.90 CCR1 (1.00) CCR1CCR8L3MBTL1CCR5ALDH1A1
SCHEMBL31020233 0.88 CCR1 (0.96) CCR1CCR8L3MBTL1CCR5ALDH1A1
Water SCHEMBL30586101 0.88 CCR1 (0.96) CCR1CCR8L3MBTL1CCR5ALDH1A1
Phenanthroline SCHEMBL21518505 0.86 CCR1 (0.93) CCR1CCR8L3MBTL1CCR5ALDH1A1
SCHEMBL8114019 0.83 CCR1 (0.81) CCR1CCR8L3MBTL1CCR5ALDH1A1
SCHEMBL8114159 0.81 HSP90AA1 (0.54) CCR1CCR8L3MBTL1CCR5ALDH1A1
SCHEMBL27604795 0.81 CCR1 (0.81) CCR1CCR8L3MBTL1CCR5ALDH1A1
SCHEMBL8119162 0.80 CCR1 (0.51) CCR1CCR8L3MBTL1CCR5ALDH1A1
SCHEMBL8114394 0.79 HSP90AA1 (0.76) CCR1CCR8L3MBTL1CCR5ALDH1A1
SCHEMBL10001033 0.78 CCR1 (0.76) CCR1CCR8L3MBTL1CCR5ALDH1A1

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