SCHEMBL7358636

SCHEMBL7358636

CCOc1ccccc1S(=O)(=O)Nc1cc(C)cc(OCC#N)c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALPL P05186 5/20 0.47
MAPK1 P28482 1/20 0.47
F2 P00734 7/20 0.46
LMNA P02545 3/20 0.46
MAPT P10636 2/20 0.46
GAA P10253 1/20 0.46
XBP1 P17861 1/20 0.46
HTT P42858 1/20 0.46
KMT2A Q03164 2/20 0.42
KAT6A Q92794 1/20 0.42
MEN1 O00255 1/20 0.42
TSHR P16473 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL7364235 0.91 F2 (0.47) ALPLMAPK1F2LMNAMAPT
SCHEMBL7373765 0.90 SLC22A12 (0.52) ALPLF2LMNAHTTKMT2A
SCHEMBL7365762 0.87 F2 (0.44) ALPLF2KMT2AKAT6AMEN1
SCHEMBL8752443 0.75 ALDH1A1 (0.55) ALPLMAPK1LMNAMAPTHTT
SCHEMBL7363720 0.74 F2 (0.34) ALPLMAPK1F2LMNAMAPT
SCHEMBL7373467 0.73 F2 (0.61) ALPLF2LMNAHTTKMT2A
SCHEMBL16470288 0.69 FABP4 (0.55) LMNAMAPTHTTKMT2AMEN1
SCHEMBL7928521 0.69 AR (0.55) F2KMT2AMEN1SMN1; SMN2
SCHEMBL5866168 0.68 F2 (0.48) F2
SCHEMBL15360019 0.68 MEN1 (0.49) ALPLMAPK1LMNAMAPTHTT

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-0778839-B1 NOVEL PHOSPHANE OXIDES, METHOD OF PREPARING THEM AND DRUGS CONTAINING THESE COMPOUNDS BOEHRINGER MANNHEIM GMBH (DE) 1998-12-23 EP disclosed
US-5824679-A Phosphanoxides--preparation and use BOEHRINGER MANNHEIM GMBH (DE) 1998-10-20 US disclosed
EP-0778839-A1 NOVEL PHOSPHANE OXIDES, METHOD OF PREPARING THEM AND DRUGS CONTAINING THESE COMPOUNDS Roche Diagnostics GmbH (DE) 1997-06-18 EP disclosed
WO-1996006849-A1 NOVEL PHOSPHANE OXIDES, METHOD OF PREPARING THEM AND DRUGS CONTAINING THESE COMPOUNDS BOEHRINGER MANNHEIM GMBH (DE) 1996-03-07 WO disclosed