SCHEMBL13003010

SCHEMBL13003010

CCCCOC(=O)n1ccc2c(O[Si](C)(C)C(C)(C)C)cccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.39
ALOX15 P16050 2/20 0.39
F2 P00734 1/20 0.39
BCHE P06276 1/20 0.38
EGFR P00533 1/20 0.38
MEN1 O00255 2/20 0.36
TSHR P16473 5/20 0.35
RAB9A P51151 1/20 0.35
PPARG P37231 7/20 0.35
ELANE P08246 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
PPARD Q03181 2/20 0.34
PPARA Q07869 2/20 0.34
TP53 P04637 1/20 0.34
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 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
SCHEMBL3376524 0.83 KDM1A (0.37) KMT2AMEN1RAB9APOLBNPSR1
SCHEMBL3044688 0.82 AKT1 (0.40) KMT2ABCHEMEN1L3MBTL1
SCHEMBL29992652 0.82 AKT1 (0.40) KMT2ABCHEMEN1L3MBTL1
SCHEMBL13003012 0.78 BCHE (0.45) KMT2AALOX15F2BCHEEGFR
SCHEMBL18714661 0.78 BCHE (0.45) KMT2AALOX15F2BCHEEGFR
SCHEMBL7025500 0.77 BCHE (0.42) KMT2AALOX15F2BCHEEGFR
SCHEMBL13003011 0.77 NR5A1 (0.41) KMT2AALOX15F2BCHEEGFR
SCHEMBL3874926 0.73 ALDH1A1 (0.45) KMT2AMEN1TSHRPPARGPOLB
SCHEMBL4418839 0.71 PREP (0.34)
SCHEMBL5635573 0.71 NOTUM (0.53) KMT2AALOX15F2BCHEEGFR

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-1757585-B1 Anionically substituted 7-Nitroindoline derivatives and their uses MEDICAL RES COUNCIL (GB) 2010-12-01 EP disclosed
EP-1757585-A1 Anionically substituted 7-Nitroindoline derivatives and their uses Medical Research Council (GB) 2007-02-28 EP disclosed