SCHEMBL9005022

SCHEMBL9005022

CC(=O)OCCN(CCOC(C)=O)c1ccc(N=Nc2ccc([N+](=O)[O-])cc2C#N)c(C)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.39
LMNA P02545 5/20 0.37
MAPT P10636 7/20 0.36
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36
TDP1 Q9NUW8 3/20 0.36
GAA P10253 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
HTT P42858 1/20 0.36
NPC1 O15118 1/20 0.36
POLB P06746 1/20 0.36
MAPK1 P28482 1/20 0.36
MMP14 P50281 1/20 0.36
RAB9A P51151 1/20 0.36
VCAM1 P19320 1/20 0.36
GLA P06280 1/20 0.35
KDR P35968 1/20 0.34
ALDH1A1 P00352 6/20 0.33
ATM Q13315 1/20 0.33

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
SCHEMBL9005020 1.00 RECQL (0.39) RECQLLMNAMAPTKMT2AMEN1
SCHEMBL30954894 1.00 RECQL (0.39) RECQLLMNAMAPTKMT2AMEN1
SCHEMBL9587724 0.91 RECQL (0.40) RECQLLMNAMAPTKMT2AMEN1
SCHEMBL9587722 0.91 RECQL (0.40) RECQLLMNAMAPTKMT2AMEN1
SCHEMBL29360765 0.90 MMP14 (0.40) RECQLLMNAMAPTKMT2AMEN1
SCHEMBL8529033 0.90 MMP14 (0.40) RECQLLMNAMAPTKMT2AMEN1
SCHEMBL2703629 0.88 KDR (0.40) RECQLLMNAMAPTKMT2AMEN1
SCHEMBL29391707 0.88 KDR (0.40) RECQLLMNAMAPTKMT2AMEN1
SCHEMBL14356241 0.86 KMT2A (0.40) LMNAMAPTKMT2AMEN1TDP1
SCHEMBL29710755 0.86 MAPT (0.50) RECQLLMNAMAPTKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0235939-B2 Thermal transfer printing ZENECA LTD (GB) 1996-10-09 EP disclosed
US-5234887-A Sheet coated with a phenyl azo dye IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-08-10 US disclosed
EP-0235939-A2 Thermal transfer printing ZENECA LIMITED (GB) 1987-09-09 EP disclosed