SCHEMBL7529170

SCHEMBL7529170

CNc1ccc(NCCS(=O)(=O)F)c2c1C(=O)c1ccccc1C2=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
POLB P06746 3/20 0.52
BLM P54132 3/20 0.52
NSD2 O96028 2/20 0.52
RXFP1 Q9HBX9 1/20 0.52
MAPT P10636 5/20 0.51
SMN1; SMN2 Q16637 5/20 0.51
MAPK1 P28482 4/20 0.51
L3MBTL1 Q9Y468 3/20 0.51
RAB9A P51151 2/20 0.51
EGFR P00533 2/20 0.51
TDP1 Q9NUW8 2/20 0.51
PABPC1 P11940 1/20 0.51
TOP2B Q02880 1/20 0.51
NPC1 O15118 1/20 0.49
MTOR P42345 1/20 0.49
SIRT2 Q8IXJ6 1/20 0.49
LMNA P02545 3/20 0.39
RECQL P46063 2/20 0.39

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
SCHEMBL7524671 0.92 MEN1 (0.59) MEN1KMT2APOLBBLMNSD2
SCHEMBL20334300 0.85 MEN1 (0.56) MEN1KMT2APOLBBLMNSD2
SCHEMBL7529174 0.84 MAPT (0.53) MEN1KMT2APOLBBLMNSD2
SCHEMBL14582002 0.83 POLB (0.56) MEN1KMT2APOLBBLMNSD2
SCHEMBL29374910 0.82 TOP2B (0.70) MEN1KMT2APOLBBLMNSD2
SCHEMBL23404 0.82 TOP2B (0.70) MEN1KMT2APOLBBLMNSD2
SCHEMBL29670831 0.82 TOP2B (0.70) MEN1KMT2APOLBBLMNSD2
SCHEMBL7529391 0.82 MAPT (0.57) MEN1KMT2APOLBBLMNSD2
SCHEMBL11485540 0.82 MEN1 (0.55) MEN1KMT2APOLBBLMNSD2
SCHEMBL23787768 0.81 MEN1 (0.54) MEN1KMT2APOLBBLMNSD2

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-0743994-B1 ANTHRAQUINONE DYES CONTAINING A FLUOROSULPHONYL GROUP AND USE THEREOF DYSTAR TEXTILFARBEN GMBH & CO (DE) 2002-04-17 EP disclosed
EP-0743994-A1 ANTHRAQUINONE DYES CONTAINING A FLUOROSULPHONYL GROUP AND USE THEREOF ZENECA LIMITED (GB) 1996-11-27 EP disclosed
WO-1995021958-A1 ANTHRAQUINONE DYES CONTAINING A FLUOROSULPHONYL GROUP AND USE THEREOF ZENECA LIMITED (GB) 1995-08-17 WO disclosed