SCHEMBL8554199

SCHEMBL8554199

CCN(CC)S(=O)(=O)c1cccc(C=CC(=O)OC)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P4HB P07237 3/20 0.59
ALDH1A1 P00352 8/20 0.56
MEN1 O00255 8/20 0.56
KMT2A Q03164 8/20 0.56
MAPT P10636 6/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
MAPK1 P28482 2/20 0.56
TSHR P16473 3/20 0.55
LMNA P02545 3/20 0.52
POLB P06746 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.50
KDM4E B2RXH2 3/20 0.48
HPGD P15428 2/20 0.48
RECQL P46063 1/20 0.48
HDAC3 O15379 2/20 0.48
HDAC4 P56524 2/20 0.48
HDAC1 Q13547 2/20 0.48
HDAC7 Q8WUI4 2/20 0.48
HDAC2 Q92769 2/20 0.48
HDAC8 Q9BY41 2/20 0.48

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
SCHEMBL8864727 1.00 P4HB (0.59) P4HBALDH1A1MEN1KMT2AMAPT
SCHEMBL8864732 0.84 POLB (0.69) P4HBALDH1A1MEN1KMT2AMAPT
SCHEMBL1374719 0.81 TTR (0.53) ALDH1A1KMT2AMAPTSMN1; SMN2KDM4E
SCHEMBL1374718 0.81 TTR (0.53) ALDH1A1KMT2AMAPTSMN1; SMN2KDM4E
SCHEMBL4871087 0.81 TTR (0.53) P4HBALDH1A1KMT2AMAPTSMN1; SMN2
SCHEMBL1402997 0.80 HDAC3 (0.48) ALDH1A1MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL1403166 0.80 HDAC1 (0.74) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL1403168 0.80 HDAC1 (0.74) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL1410531 0.80 TTR (0.51) ALDH1A1KMT2AMAPTSMN1; SMN2KDM4E
SCHEMBL1373914 0.80 TTR (0.55) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0475527-B1 Aryl-fused and hetaryl-fused-2,4-diazepine and 2,4-diazocine antiarrhythmic agents SANOFI SA (FR) 1998-02-25 EP disclosed
US-5624922-A Aryl-fused and hetaryl-fused-2,4-diazepine and 2,4-diazocine antiarrhythmic agents STERLING WINTHROP INC. (US) 1997-04-29 US disclosed
EP-0597540-B1 Aryl-fused and hetaryl-fused-2,4-diazocine antiarrhythmic agents STERLING WINTHROP INC (US) 1996-06-05 EP disclosed
US-5380721-A Aryl-fused and hetaryl-fused-2,4-diazepine and 2,4-diazocine antiarrhythmic agents STERLING WINTHROP INC. (US) 1995-01-10 US disclosed
EP-0597540-A1 Aryl-fused and hetaryl-fused-2,4-diazocine antiarrhythmic agents STERLING WINTHROP INC. (US) 1994-05-18 EP disclosed
EP-0475527-A2 Aryl-fused and hetaryl-fused-2, 4-diazepine and 2, 4-diazocine antiarrhythmic agents STERLING DRUG INC. (US) 1992-03-18 EP disclosed