SCHEMBL3134363

SCHEMBL3134363

CCOC(=O)c1cn(C2CC2)c2c([N+](=O)[O-])c(Cl)c(Cl)cc2c1=O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.49
▸ ADRB2 P07550 1/20 0.47
▸ ALDH1A1 P00352 2/20 0.46
▸ LMNA P02545 2/20 0.46
▸ MAPT P10636 2/20 0.46
▸ NPC1 O15118 1/20 0.45
▸ HPGD P15428 1/20 0.39
▸ BAZ2B Q9UIF8 1/20 0.38
▸ BAZ2A Q9UIF9 1/20 0.38
▸ VCAM1 P19320 1/20 0.38
▸ CHRM2 P08172 1/20 0.38
▸ CHRM1 P11229 1/20 0.38
▸ OPRM1 P35372 1/20 0.38
▸ OPRD1 P41143 1/20 0.38
▸ KCNH2 Q12809 1/20 0.36
▸ STAT3 P40763 1/20 0.36
▸ TOP2A P11388 1/20 0.36
▸ TOP2B Q02880 1/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ THRB P10828 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
SCHEMBL3123309 0.90 ADRB2 (0.54) POLBADRB2ALDH1A1LMNAMAPT
SCHEMBL3263934 0.85 POLB (0.42) POLBADRB2ALDH1A1LMNAMAPT
SCHEMBL3263761 0.83 POLB (0.46) POLBADRB2ALDH1A1LMNAMAPT
SCHEMBL1003852 0.83 POLB (0.52) POLBADRB2ALDH1A1LMNAMAPT
SCHEMBL10472998 0.82 ADRB2 (0.57) POLBADRB2ALDH1A1BAZ2BBAZ2A
SCHEMBL3135458 0.82 STAT3 (0.47) POLBADRB2ALDH1A1LMNAMAPT
SCHEMBL3128196 0.81 ADRB2 (0.46) POLBADRB2ALDH1A1LMNAMAPT
SCHEMBL8435344 0.81 ADRB2 (0.60) POLBADRB2ALDH1A1BAZ2BBAZ2A
SCHEMBL4564641 0.80 ADRB2 (0.57) POLBADRB2ALDH1A1HPGDCHRM2
SCHEMBL9688340 0.80 ADRB2 (0.45) POLBADRB2ALDH1A1LMNAMAPT

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
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