SCHEMBL7438778

SCHEMBL7438778

O=C1NSCC1Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 1/20 0.50
CRBN Q96SW2 1/20 0.50
MAOB P27338 2/20 0.46
CA2 P00918 1/20 0.46
HDAC8 Q9BY41 2/20 0.42
KMT2A Q03164 2/20 0.42
HSD11B1 P28845 1/20 0.39
GBA1 P04062 1/20 0.38
PPARG P37231 1/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL29013938 0.70 DDB1 (0.52) DDB1CRBNMAOBHDAC8KMT2A
SCHEMBL837901 0.69 DDB1 (0.60) DDB1CRBNMAOBHDAC8KMT2A
SCHEMBL6565739 0.69 DDB1 (0.51) DDB1CRBNMAOBCA2HDAC8
SCHEMBL7268381 0.69 CRBN (0.70) DDB1CRBNMAOBCA2HDAC8
SCHEMBL7566142 0.68 MAOB (0.51) DDB1CRBNMAOBCA2HDAC8
SCHEMBL28650432 0.67 DDB1 (0.49) DDB1CRBNMAOBCA2HDAC8
SCHEMBL8521910 0.67 CRBN (1.00) DDB1CRBNHDAC8KMT2A
SCHEMBL6829791 0.67 CRBN (0.57) DDB1CRBNMAOBCA2HDAC8
SCHEMBL7441792 0.67 DDB1 (0.49) DDB1CRBNMAOBCA2HDAC8
SCHEMBL22559966 0.67 DDB1 (0.49) DDB1CRBNMAOBCA2HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0739338-A4 NOVEL SERINE PROTEASE INHIBITORS: DERIVATIVES OF ISOTHIAZOLIDIN-3-ONE-1,1 DIOXIDE AND 3-OXO-1,2,5-THIADIAZOLIDINE-1,1-DIOXIDE UNIV WICHITA STATE (US) 1997-03-26 EP disclosed
EP-0739338-A1 NOVEL SERINE PROTEASE INHIBITORS: DERIVATIVES OF ISOTHIAZOLIDIN-3-ONE-1,1 DIOXIDE AND 3-OXO-1,2,5-THIADIAZOLIDINE-1,1-DIOXIDE THE WICHITA STATE UNIVERSITY (US) 1996-10-30 EP disclosed
WO-1995018797-A1 NOVEL SERINE PROTEASE INHIBITORS: DERIVATIVES OF ISOTHIAZOLIDIN-3-ONE-1,1 DIOXIDE AND 3-OXO-1,2,5-THIADIAZOLIDINE-1,1-DIOXIDE THE WICHITA STATE UNIVERSITY (US) 1995-07-13 WO disclosed