SCHEMBL8563675

SCHEMBL8563675

C=CCOC(=O)[C@@H](CC(C)C)NS(=O)(=O)c1ccc(CBr)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 2/20 0.47
MMP1 P03956 1/20 0.47
MMP3 P08254 1/20 0.47
MMP7 P09237 1/20 0.47
MMP9 P14780 1/20 0.47
MMP13 P45452 1/20 0.47
AIMP2 Q13155 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CTSL P07711 4/20 0.39
CTSS P25774 4/20 0.39
CTSK P43235 3/20 0.39
KDM4E B2RXH2 2/20 0.39
PLAU P00749 1/20 0.39
HPN P05981 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NPSR1 Q6W5P4 2/20 0.38
BACE1 P56817 1/20 0.38
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.37

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
SCHEMBL8569264 1.00 MMP2 (0.47) MMP2MMP1MMP3MMP7MMP9
SCHEMBL8133560 0.86 MMP1 (0.51) MMP2MMP1MMP3MMP7MMP9
SCHEMBL9595462 0.86 MMP1 (0.53) MMP2MMP1MMP3MMP7MMP9
SCHEMBL9132706 0.77 MMP1 (0.49) MMP2MMP1MMP3MMP7MMP9
SCHEMBL8561448 0.76 PTAFR (0.45) MMP1MMP3MMP9MMP13MEN1
SCHEMBL8565202 0.75 MMP2 (0.34) MMP2MMP1MMP3MMP7MMP9
SCHEMBL8565588 0.75 MMP2 (0.34) MMP2MMP1MMP3MMP7MMP9
SCHEMBL8119786 0.75 KMT2A (0.35) MMP2MMP1MMP3MMP7MMP9
SCHEMBL8130832 0.75 KDM4E (0.35) MMP2MMP1MMP3MMP7MMP9
SCHEMBL8130834 0.75 PTAFR (0.63) CYP2D6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0605434-B1 IMIDAZO (4,5-C) PYRIDINE DERIVATIVES AS PAF ANTAGONISTS BRITISH BIOTECH PHARM (GB) 1998-08-19 EP disclosed
US-5446032-A Platelet activsating factor antagonist BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1995-08-29 US disclosed
EP-0605434-A1 IMIDAZO (4,5-C) PYRIDINE DERIVATIVES AS PAF ANTAGONISTS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1994-07-13 EP disclosed
WO-1993002080-A1 IMIDAZO (4,5-C) PYRIDINE DERIVATIVES AS PAF ANTAGONISTS BRITISH BIO-TECHNOLOGY LIMITED (GB) 1993-02-04 WO disclosed