SCHEMBL7364235

SCHEMBL7364235

CCCOc1ccccc1S(=O)(=O)Nc1cc(C)cc(OCC#N)c1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F2 P00734 9/20 0.47
SLC22A12 Q96S37 2/20 0.40
ALPL P05186 2/20 0.39
MAPK1 P28482 1/20 0.39
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
LMNA P02545 2/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
XBP1 P17861 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL7358636 0.91 ALPL (0.47) F2ALPLMAPK1SMN1; SMN2MEN1
SCHEMBL7373765 0.88 SLC22A12 (0.52) F2SLC22A12ALPLALDH1A1SMN1; SMN2
SCHEMBL7365762 0.85 F2 (0.44) F2SLC22A12ALPLALDH1A1SMN1; SMN2
SCHEMBL7359257 0.75 F2 (0.35) F2
SCHEMBL8732207 0.73 F2 (0.37) F2MEN1KMT2A
SCHEMBL7373467 0.73 F2 (0.61) F2ALPLALDH1A1SMN1; SMN2MEN1
SCHEMBL7479980 0.70 F2 (0.34) F2SMN1; SMN2
SCHEMBL5866168 0.69 F2 (0.48) F2SLC22A12ALDH1A1
SCHEMBL7928521 0.68 AR (0.55) F2SMN1; SMN2MEN1KMT2A
SCHEMBL8649933 0.66 F2 (0.60) F2ALPLALDH1A1SMN1; SMN2MEN1

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