SCHEMBL6936677

SCHEMBL6936677

CCS(=O)(=O)c1[c]c([N+](=O)[O-])cc([N+](=O)[O-])c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 5/20 0.44
POLB P06746 1/20 0.44
TSHR P16473 1/20 0.38
CYP19A1 P11511 1/20 0.36
KMT2A Q03164 4/20 0.35
LMNA P02545 2/20 0.35
MEN1 O00255 2/20 0.35
MAPT P10636 4/20 0.34
BLM P54132 1/20 0.34
ESPL1 Q14674 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GALR3 O60755 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GAA P10253 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA3 P07451 1/20 0.33
CA4 P22748 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
SCHEMBL18479 0.77 CYP19A1 (0.52) HTTPOLBTSHRCYP19A1KMT2A
SCHEMBL29202924 0.76 MAPT (0.56) HTTPOLBTSHRKMT2AMAPT
SCHEMBL8892649 0.75 HTT (0.40) HTTPOLBTSHRCYP19A1KMT2A
SCHEMBL28485486 0.73 HTT (0.47) HTTKMT2ALMNAMEN1MAPT
SCHEMBL7234292 0.72 MAPT (0.47) HTTPOLBTSHRCYP19A1KMT2A
SCHEMBL7274798 0.72 TSHR (0.50) HTTPOLBTSHRCYP19A1KMT2A
SCHEMBL908704 0.72 ALDH1A1 (0.48) HTTPOLBTSHRCYP19A1KMT2A
SCHEMBL909296 0.72 TSHR (0.45) HTTPOLBTSHRCYP19A1KMT2A
SCHEMBL14650151 0.72 HTT (0.52) HTTPOLBTSHRCYP19A1KMT2A
SCHEMBL28486029 0.71 L3MBTL1 (0.43) HTTKMT2ALMNAMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1013717-B1 Thermomigration-fast azo dyes DYSTAR TEXTILFARBEN GMBH & CO (DE) 2003-07-23 EP claimed
EP-1013717-A1 Thermomigration-fast azo dyes DyStar Textilfarben GmbH & Co. Deutschland KG (DE) 2000-06-28 EP claimed
EP-1013717-B1 Thermomigration-fast azo dyes DYSTAR TEXTILFARBEN GMBH & CO (DE) 2003-07-23 EP disclosed
US-6191265-B1 SUCH AS ALANINE N-(3-METHOXY-3-OXOPROPYL),N-(3-((ALKYLSULPHONYL OR CARBONYL)OXY),4-((ARYL OR HETEROARYL)AZO)PHENYL)-METHYL ESTER; PRODUCING OPTICAL RECORDING MATERIAL DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 2001-02-20 US disclosed
JP-2000198943-A THERMAL-MIGRATION-RESISTANT AZO DYE DYSTAR TEXTILFARBEN GMBH & CO DEUTSCHE KG 2000-07-18 JP disclosed
EP-1013717-A1 Thermomigration-fast azo dyes DyStar Textilfarben GmbH & Co. Deutschland KG (DE) 2000-06-28 EP disclosed
EP-1013717-A1 Thermomigration-fast azo dyes DyStar Textilfarben GmbH & Co. Deutschland KG (DE) 2000-06-28 EP disclosed