SCHEMBL5533650

SCHEMBL5533650

O=c1c2cc3c(=O)n(-c4ccc(C(F)(F)F)cc4)c(=O)c3c(C(F)(F)F)c2c(=O)n1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 1/20 0.42
GSK3B P49841 1/20 0.42
TRPV1 Q8NER1 1/20 0.41
MPI P34949 1/20 0.40
PHOSPHO1 Q8TCT1 1/20 0.40
CA12 O43570 2/20 0.39
CA9 Q16790 2/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
TRPV4 Q9HBA0 2/20 0.37
MIF P14174 1/20 0.37
G6PD P11413 1/20 0.35
TLR9 Q9NR96 1/20 0.35
KDM4E B2RXH2 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MEN1 O00255 1/20 0.35
PTGES O14684 1/20 0.35
ALOX5 P09917 1/20 0.35
DUSP3 P51452 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL5535450 0.88 GSK3A (0.47) GSK3AGSK3BTRPV1MPIPHOSPHO1
SCHEMBL5531699 0.86 CA12 (0.50) GSK3AGSK3BTRPV1MPIPHOSPHO1
SCHEMBL29328204 0.81 GSK3A (0.45) GSK3AGSK3BTRPV1MPIPHOSPHO1
SCHEMBL17995365 0.81 GSK3A (0.45) GSK3AGSK3BTRPV1MPIPHOSPHO1
SCHEMBL22197877 0.77 GSK3A (0.47) GSK3AGSK3BTRPV1MPIPHOSPHO1
SCHEMBL5576820 0.75 AR (0.49)
SCHEMBL5534241 0.74 ADRB1 (0.38) MPIPHOSPHO1
SCHEMBL25965011 0.73 GSK3A (0.44) GSK3AGSK3BTRPV1MPIPHOSPHO1
SCHEMBL5531653 0.72 CYP1A2 (0.51) MPIPHOSPHO1MEN1ALOX5KMT2A
SCHEMBL25599472 0.72 GSK3A (0.43) GSK3AGSK3BTRPV1MPIPHOSPHO1

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-8168327-B2 Imide derivative, material for organic electroluminescent device and organic electroluminescent device using the same IDEMITSU KOSAN CO., LTD. (JP) 2012-05-01 US disclosed
US-8168327-B2 Imide derivative, material for organic electroluminescent device and organic electroluminescent device using the same IDEMITSU KOSAN CO., LTD. (JP) 2012-05-01 US disclosed
US-20070160905-A1 NOVEL IMIDE DERIVATIVE, MATERIAL FOR ORGANIC ELECTROLUMINESCENT DEVICE AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2007-07-12 US disclosed
US-20070160905-A1 NOVEL IMIDE DERIVATIVE, MATERIAL FOR ORGANIC ELECTROLUMINESCENT DEVICE AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2007-07-12 US disclosed