SCHEMBL1807309

SCHEMBL1807309

Cc1c([N+](=O)[O-])cccc1S(N)(=O)=O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.62
TSHR P16473 3/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
KMT2A Q03164 4/20 0.52
MEN1 O00255 2/20 0.52
F2 P00734 2/20 0.49
PRSS1 P07477 2/20 0.49
PRSS2 P07478 2/20 0.49
PRSS3 P35030 2/20 0.49
CA2 P00918 2/20 0.48
CA9 Q16790 1/20 0.48
HSD17B10 Q99714 3/20 0.46
MAPT P10636 3/20 0.45
KDM4E B2RXH2 2/20 0.45
HPGD P15428 2/20 0.45
GLA P06280 2/20 0.45
ALDH1A1 P00352 2/20 0.45
CA1 P00915 1/20 0.45
MMP1 P03956 1/20 0.45
MMP2 P08253 1/20 0.45

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
SCHEMBL9356245 0.84 TDP1 (0.64) TDP1TSHRSMN1; SMN2KMT2AMEN1
SCHEMBL17747892 0.84 TDP1 (0.48) TDP1TSHRSMN1; SMN2KMT2AMEN1
SCHEMBL10700952 0.84 TDP1 (0.64) TDP1TSHRSMN1; SMN2KMT2AMEN1
SCHEMBL6616502 0.82 TDP1 (0.62) TDP1TSHRSMN1; SMN2KMT2AMEN1
SCHEMBL6616509 0.82 TDP1 (0.62) TDP1TSHRSMN1; SMN2KMT2AMEN1
SCHEMBL10742167 0.82 TDP1 (0.62) TDP1TSHRSMN1; SMN2KMT2AMEN1
SCHEMBL29452202 0.82 TDP1 (0.62) TDP1TSHRSMN1; SMN2KMT2AMEN1
SCHEMBL370668 0.81 KMT2A (0.70) SMN1; SMN2KMT2AMEN1F2PRSS1
SCHEMBL4158554 0.81 KMT2A (0.70) SMN1; SMN2KMT2AMEN1F2PRSS1
SCHEMBL7531976 0.80 KMT2A (0.53) TDP1KMT2AMEN1F2PRSS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2523559-A1 COMPOUNDS AND METHODS GlaxoSmithKline LLC (US) 2012-11-21 EP disclosed
WO-2011149827-A1 COMPOUNDS AND METHODS GLAXOSMITHKLINE LLC (US) 2011-12-01 WO disclosed
WO-2011088027-A1 COMPOUNDS AND METHODS GLAXOSMITHKLINE LLC (US) 2011-07-21 WO disclosed
WO-2011056739-A1 COMPOUNDS AND METHODS GLAXOSMITHKLINE LLC (US) 2011-05-12 WO disclosed
WO-2011056740-A1 QUINAZOLINE COMPOUNDS GLAXOSMITHKLINE LLC (US) 2011-05-12 WO disclosed
US-7414011-B2 Phenylsulfonyl ureas, process for their preparation and their use as herbicides and plant growth regulators HOECHST SCHERING AGREVO GMBH (US) 2008-08-19 US disclosed
EP-0038458-B1 4-HYDROXY-1,2-BENZISOTHIAZOL-3(2H)-ONE-1,1-DIOXIDE, THEIR SALTS, THEIR PREPARATION AND THEIR UTILIZATION Dr. Karl Thomae GmbH (DE) 1983-09-21 EP disclosed
US-4404230-A ARTICIFIAL SWEETENERS DR. KARL THOMAE GMBH (DE) 1983-09-13 US disclosed
EP-0038458-A1 4-Hydroxy-1,2-benzisothiazol-3(2H)-one-1,1-dioxide, their salts, their preparation and their utilization Dr. Karl Thomae GmbH (DE) 1981-10-28 EP disclosed