SCHEMBL7373765

SCHEMBL7373765

COc1ccccc1S(=O)(=O)Nc1cc(C)cc(OCC#N)c1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 1/20 0.52
SMN1; SMN2 Q16637 6/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
ALDH1A1 P00352 2/20 0.50
ALPL P05186 4/20 0.47
F2 P00734 3/20 0.47
LMNA P02545 3/20 0.46
HTT P42858 1/20 0.46
PKM P14618 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
ALOX12 P18054 1/20 0.45
TRIM24 O15164 1/20 0.44
TSHR P16473 1/20 0.44
CASP1 P29466 1/20 0.44
CASP7 P55210 1/20 0.44
HSD17B10 Q99714 1/20 0.44

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 0.90 ALPL (0.47) SMN1; SMN2MEN1KMT2AALPLF2
SCHEMBL7365762 0.88 F2 (0.44) SLC22A12SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL7364235 0.88 F2 (0.47) SLC22A12SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL7373467 0.83 F2 (0.61) SMN1; SMN2MEN1KMT2AALDH1A1ALPL
SCHEMBL8649933 0.74 F2 (0.60) SMN1; SMN2MEN1KMT2AALDH1A1ALPL
SCHEMBL8728793 0.73 F2 (0.41) SLC22A12SMN1; SMN2ALDH1A1ALPLF2
SCHEMBL7364604 0.71 CA12 (0.59) SLC22A12SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL5305683 0.70 LMNA (0.66) SLC22A12SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL7928521 0.70 AR (0.55) SMN1; SMN2MEN1KMT2AF2
SCHEMBL8644704 0.70 BRPF1 (0.37) F2

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 7 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
US-5795892-A ANTICOAGULANTS BOEHRINGER MANNEIM GMBH (DE) 1998-08-18 US disclosed
EP-0778829-A1 NOVEL 4-AMINOPYRIDAZINES, METHOD OF PREPARING THEM AND DRUGS CONTAINING THESE COMPOUNDS Roche Diagnostics GmbH (DE) 1997-06-18 EP 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-1996006832-A1 NOVEL 4-AMINOPYRIDAZINES, METHOD OF PREPARING THEM AND DRUGS CONTAINING THESE COMPOUNDS BOEHRINGER MANNHEIM GMBH (DE) 1996-03-07 WO 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