SCHEMBL6427554

SCHEMBL6427554

Oc1c(-c2ccc(F)cc2)cc(-c2ccc(F)cc2)c2cccnc12.Oc1c(-c2ccc(F)cc2)cc(-c2ccc(F)cc2)c2cccnc12.Oc1c(-c2ccc(F)cc2)cc(-c2ccc(F)cc2)c2cccnc12.[Al]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.50
COMT P21964 3/20 0.48
TOP1 P11387 2/20 0.46
KDM4E B2RXH2 8/20 0.44
HSP90AA1 P07900 6/20 0.44
KMT2A Q03164 6/20 0.44
TDP1 Q9NUW8 6/20 0.44
MEN1 O00255 5/20 0.44
HTT P42858 5/20 0.44
SMN1; SMN2 Q16637 5/20 0.44
LMNA P02545 5/20 0.44
TP53 P04637 4/20 0.44
ALDH1A1 P00352 4/20 0.44
MAPT P10636 4/20 0.44
ALOX15 P16050 3/20 0.44
SLC6A2 P23975 3/20 0.44
USP2 O75604 3/20 0.44
MMP14 P50281 3/20 0.44
CYP3A4 P08684 2/20 0.44
ALOX12 P18054 2/20 0.44

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
SCHEMBL19891758 0.98 PIK3CD (0.51) PIK3CDCOMTTOP1KDM4EHSP90AA1
SCHEMBL14371454 0.85 HSP90AA1 (0.60) PIK3CDCOMTTOP1KDM4EHSP90AA1
SCHEMBL8344949 0.85 KDM4E (0.60) COMTKDM4EHSP90AA1KMT2ATDP1
SCHEMBL6051226 0.84 PIK3CD (0.59) PIK3CDCOMTTOP1KDM4EHSP90AA1
SCHEMBL27584879 0.83 PIK3CD (0.57) PIK3CDCOMTTOP1KDM4EHSP90AA1
SCHEMBL19891735 0.82 TOP1 (0.53) PIK3CDCOMTTOP1KDM4EHSP90AA1
SCHEMBL30834983 0.79 PIK3CD (0.51) PIK3CDCOMTKDM4EHSP90AA1KMT2A
SCHEMBL19830927 0.79 PIK3CD (0.51) PIK3CDCOMTKDM4EHSP90AA1KMT2A
SCHEMBL29720504 0.75 TOP1 (0.55) TOP1KDM4EHSP90AA1KMT2ATDP1
SCHEMBL28808961 0.75 TOP1 (0.55) TOP1KDM4EHSP90AA1KMT2ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6921589-B2 Electroluminescent elements TORAY INDUSTRIES, INC. (JP) 2005-07-26 US disclosed
US-20020160227-A1 Electroluminescent elements KOHAMA AKIRA (JP) 2002-10-31 US disclosed
EP-1000998-B1 Electroluminescent element and devices TORAY INDUSTRIES (JP) 2002-10-09 EP disclosed
EP-1000998-A1 Electroluminescent element and devices TORAY INDUSTRIES, INC. (JP) 2000-05-17 EP disclosed