SCHEMBL4579346

SCHEMBL4579346

O=C1C2=C(Nc3ccccc3C2)C(=O)C2=C1Nc1ccccc1C2

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.59
PDK2 Q15119 1/20 0.59
NPC1 O15118 2/20 0.48
MAPT P10636 2/20 0.48
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 1/20 0.48
HSP90AA1 P07900 1/20 0.48
THRB P10828 1/20 0.48
HK1 P19367 1/20 0.48
MAPK1 P28482 1/20 0.48
RECQL P46063 1/20 0.48
RAB9A P51151 1/20 0.48
GALK1 P51570 1/20 0.48
BLM P54132 1/20 0.48
KMT2A Q03164 1/20 0.48
HKDC1 Q2TB90 1/20 0.48
MAPK13 O15264 1/20 0.47
MAPK12 P53778 1/20 0.47
MAPK11 Q15759 1/20 0.47
MAPK14 Q16539 1/20 0.47

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
SCHEMBL7746284 0.85 AHR (0.52) AHRPDK2NPC1MAPTKDM4E
Oxindole SCHEMBL1144643 0.74 AHR (1.00) AHRPDK2NPC1MAPTKDM4E
Oxindole SCHEMBL19504 0.74 AHR (1.00) AHRPDK2NPC1MAPTKDM4E
Oxindole SCHEMBL29358826 0.74 AHR (1.00) AHRPDK2NPC1MAPTKDM4E
SCHEMBL18601969 0.73 AHR (0.50) AHRPDK2NPC1MAPTKDM4E
SCHEMBL8776574 0.73 AHR (0.50) AHRPDK2NPC1MAPTKDM4E
Acridan SCHEMBL183367 0.73 MAPT (0.65) AHRPDK2NPC1MAPTKDM4E
Acridan SCHEMBL29446489 0.73 MAPT (0.65) AHRPDK2NPC1MAPTKDM4E
Acridan SCHEMBL20594012 0.73 MAPT (0.65) AHRPDK2NPC1MAPTKDM4E
Acridan SCHEMBL29405807 0.73 MAPT (0.65) AHRPDK2NPC1MAPTKDM4E

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-7335771-B2 Quinacridone derivatives as labelling reagents for fluorescence detection of biological materials GE HEALTHCARE UK LIMITED (GB) 2008-02-26 US disclosed