SCHEMBL7465227

SCHEMBL7465227

COC(=O)c1cccc2c1ccn2S(C)(=O)=O

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.54
KMT2A Q03164 6/20 0.52
MEN1 O00255 2/20 0.52
FABP4 P15090 3/20 0.47
NR4A2 P43354 3/20 0.47
MAPT P10636 2/20 0.45
HSP90AA1 P07900 1/20 0.42
ALDH1A1 P00352 2/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA5A P35218 1/20 0.42
CA9 Q16790 1/20 0.42
KDM4E B2RXH2 1/20 0.42
THRB P10828 1/20 0.42
GAA P10253 1/20 0.42
HTR3A P46098 1/20 0.41

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
SCHEMBL4784564 0.83 MEN1 (0.72) HTR6KMT2AMEN1FABP4
SCHEMBL27292211 0.83 HTR6 (0.58) HTR6FABP4NR4A2
Hydrochloric Acid SCHEMBL7469779 0.82 HTR6 (0.56) HTR6FABP4NR4A2
SCHEMBL7469773 0.82 HTR6 (0.56) HTR6FABP4HTR3A
SCHEMBL10708955 0.81 MEN1 (0.58) HTR6KMT2AMEN1FABP4KDM4E
SCHEMBL22805900 0.79 PIK3C3 (0.42) HTR6KMT2AMEN1NR4A2KDM4E
SCHEMBL701556 0.78 NR4A2 (0.64) KMT2AMEN1NR4A2MAPTHSP90AA1
SCHEMBL31607540 0.78 NR4A2 (0.64) KMT2AMEN1NR4A2MAPTHSP90AA1
SCHEMBL3222576 0.77 NR4A2 (0.50) KMT2AMEN1NR4A2MAPTHSP90AA1
SCHEMBL11218801 0.77 NR4A2 (0.50) KMT2AMEN1NR4A2MAPTHSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0636622-B1 Isoxazole derivatives and their use as herbicides AVENTIS AGRICULTURE LTD (GB) 2002-10-23 EP disclosed
EP-1160244-A1 Isoxazole derivatives and their use as herbicides RHONE-POULENC AGRICULTURE LIMITED (GB) 2001-12-05 EP disclosed
US-5489570-A PRE- OR POST-EMERGENCE RHONE-POULENC AGRICULTURE LIMITED (GB) 1996-02-06 US disclosed
EP-0636622-A1 Isoxazole derivatives and their use as herbicides RHONE POULENC AGRICULTURE LTD. (GB) 1995-02-01 EP disclosed