SCHEMBL7405306

SCHEMBL7405306

COc1nsc(NC(=O)CBr)n1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.41
RXFP1 Q9HBX9 5/20 0.41
TP53 P04637 3/20 0.41
RAB9A P51151 5/20 0.39
NPC1 O15118 4/20 0.39
KDM4E B2RXH2 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
ALDH1A1 P00352 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HTT P42858 1/20 0.38
ADORA3 P0DMS8 2/20 0.38
LMNA P02545 3/20 0.37
PRKACA P17612 1/20 0.36
ROCK1 Q13464 1/20 0.36
TSHR P16473 1/20 0.36
PI4KB Q9UBF8 1/20 0.36
XBP1 P17861 1/20 0.35

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
SCHEMBL7400883 0.84 MAPT (0.41) MAPTRXFP1TP53RAB9ANPC1
SCHEMBL7395476 0.84 CASP2 (0.46) MAPTRXFP1TP53RAB9ANPC1
SCHEMBL17667391 0.80 ADORA3 (0.41) MAPTRXFP1TP53RAB9ANPC1
SCHEMBL24491102 0.78 ADORA3 (0.40) MAPTRXFP1TP53RAB9ANPC1
SCHEMBL22436168 0.77 ADORA3 (0.40) MAPTTP53RAB9ANPC1SMN1; SMN2
SCHEMBL7400071 0.72 GAA (0.47) MAPTRXFP1RAB9ANPC1KDM4E
SCHEMBL7398610 0.71 NPC1 (0.35) MAPTRXFP1TP53RAB9ANPC1
SCHEMBL22436114 0.71 JAK2 (0.46) MAPTRAB9ANPC1KDM4ESMN1; SMN2
SCHEMBL22436176 0.69 CHRM4 (0.52) MAPTRAB9ANPC1KDM4ESMN1; SMN2
SCHEMBL7642642 0.68 ALDH1A1 (0.40) MAPTTP53RAB9ANPC1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6468977-B1 COMPOUNDS USEFUL IN TREATMENT TREATMENT OF DISORDER AND/OR DISEASE CAUSED BY ACTIVITY OF ENZYMES SUCH AS HUMAN RHINOVIRUS 3C PROTEASE, TRANSGLUTAMINASE AND CATHEPSINS APOTEX INC. (CA) 2002-10-22 US disclosed
WO-2001090095-A1 THIADIAZOLE COMPOUNDS USEFUL AS INHIBITORS OF CYSTEINE ACTIVITY DEPENDENT ENZYMES APOTEX INC. (CA) 2001-11-29 WO disclosed
US-6162791-A Thiadiazole compounds useful as inhibitors of cysteine activity dependent enzymes APOTEX INC. (CA) 2000-12-19 US disclosed
EP-1058690-A1 THIADIAZOLE COMPOUNDS USEFUL AS INHIBITORS OF CYSTEINE ACTIVITY DEPENDENT ENZYMES APOTEX INC. (CA) 2000-12-13 EP disclosed
WO-1999045027-A1 THIADIAZOLE COMPOUNDS USEFUL AS INHIBITORS OF CYSTEINE ACTIVITY DEPENDENT ENZYMES APOTEX INC. (CA) 1999-09-10 WO disclosed