SCHEMBL3135458

SCHEMBL3135458

CCOC(=O)c1cn(C2CC2)c2c([N+](=O)[O-])c(Cl)c(F)c(F)c2c1=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 1/20 0.47
HTT P42858 2/20 0.45
ADRB2 P07550 1/20 0.45
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
TSHR P16473 1/20 0.42
CASP1 P29466 1/20 0.42
TOP2A P11388 2/20 0.41
TOP2B Q02880 2/20 0.41
POLB P06746 3/20 0.40
KCNH2 Q12809 2/20 0.38
CACNA1F O60840 1/20 0.38
MAPK1 P28482 1/20 0.38
CACNA1D Q01668 1/20 0.38
CACNA1S Q13698 1/20 0.38
CACNA1C Q13936 1/20 0.38
ALDH1A1 P00352 3/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
NPC1 O15118 1/20 0.37

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
SCHEMBL9688340 0.90 ADRB2 (0.45) STAT3HTTADRB2MEN1KMT2A
SCHEMBL3263934 0.90 POLB (0.42) STAT3HTTADRB2TSHRCASP1
SCHEMBL1345069 0.87 ADRB2 (0.42) STAT3HTTADRB2MEN1KMT2A
SCHEMBL9585893 0.87 STAT3 (0.54) STAT3HTTADRB2MEN1KMT2A
SCHEMBL3128196 0.86 ADRB2 (0.46) STAT3HTTADRB2KMT2ATSHR
SCHEMBL9248857 0.85 STAT3 (0.50) STAT3HTTADRB2MEN1KMT2A
SCHEMBL7520230 0.84 ADRB2 (0.46) STAT3HTTADRB2MEN1KMT2A
SCHEMBL3263761 0.84 POLB (0.46) STAT3HTTADRB2TOP2ATOP2B
SCHEMBL3123309 0.84 ADRB2 (0.54) STAT3ADRB2KMT2ATOP2ATOP2B
SCHEMBL9133982 0.84 ADRB2 (0.50) STAT3HTTADRB2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2128160-B1 Indolo[2,3-b]-, Indeno[1,2-b]- and Indeno[2,1-b]pyrido[2,3-f] quinoxaline-3-carboxylic acids and esters, processes for their preparation and their use as antiviral, antibiotic and antitumor agents UNIV DUISBURG ESSEN (DE) 2010-07-14 EP disclosed
EP-2128160-A1 Indolo[2,3-b]-, Indeno[1,2-b]- and Indeno[2,1-b]pyrido[2,3-f] quinoxaline-3-carboxylic acids and esters, processes for their preparation and their use as antiviral, antibiotic and antitumor agents Universität Duisburg-Essen (DE) 2009-12-02 EP disclosed