SCHEMBL7447301

SCHEMBL7447301

CCCCOC(=O)NC(CSc1ccccc1)C(N)=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.44
SIRT2 Q8IXJ6 1/20 0.43
MTNR1A P48039 3/20 0.43
MTNR1B P49286 3/20 0.43
TDP1 Q9NUW8 2/20 0.43
SMN1; SMN2 Q16637 5/20 0.43
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
LMNA P02545 1/20 0.43
CA2 P00918 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
ACE P12821 2/20 0.41
ACE2 Q9BYF1 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
TSHR P16473 1/20 0.40
PLA2G10 O15496 1/20 0.40
CTSL P07711 1/20 0.40
CTSS P25774 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL7288109 0.81 ACE (0.54) CTSKSIRT2ACEACE2CTSL
SCHEMBL7288116 0.81 ACE (0.54) CTSKSIRT2ACEACE2CTSL
SCHEMBL6654285 0.80 ITGB3 (0.41) CTSKSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL6654073 0.79 CYP3A4 (0.54) CTSKTDP1SMN1; SMN2NPC1RAB9A
SCHEMBL6988063 0.79 PPARA (0.52) CTSKMTNR1AMTNR1BACECTSL
SCHEMBL8212610 0.78 PLA2G10 (0.50) CTSKMTNR1AMTNR1BTDP1SMN1; SMN2
SCHEMBL6656140 0.77 TAS1R3 (0.43) TDP1SMN1; SMN2NPC1RAB9ACYP1A2
SCHEMBL13541260 0.77 CTSK (0.41) CTSKMTNR1AMTNR1BTDP1SMN1; SMN2
SCHEMBL8064065 0.77 PLA2G10 (0.47) CTSKMTNR1AMTNR1BTDP1SMN1; SMN2
SCHEMBL14390637 0.77 SMN1; SMN2 (0.45) CTSKMTNR1AMTNR1BTDP1SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0958287-A1 SULFAMIDE-METALLOPROTEASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 1999-11-24 EP disclosed
WO-1998032748-A1 SULFAMIDE-METALLOPROTEASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 1998-07-30 WO disclosed