SCHEMBL8561448

SCHEMBL8561448

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

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 1/20 0.45
NPSR1 Q6W5P4 2/20 0.39
PLAU P00749 1/20 0.39
MMP1 P03956 3/20 0.37
ALDH1A1 P00352 2/20 0.37
HPGD P15428 2/20 0.37
BMP1 P13497 3/20 0.36
ADAMTS5 Q9UNA0 1/20 0.35
ATM Q13315 1/20 0.34
MMP9 P14780 2/20 0.33
MMP13 P45452 2/20 0.33
ADAM17 P78536 2/20 0.33
MMP3 P08254 1/20 0.33
ADAMTS4 O75173 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL8131433 0.86 PTAFR (0.57) PTAFRPLAUMMP1ALDH1A1HPGD
SCHEMBL8581562 0.84 PTAFR (0.48) PTAFRPLAUMMP1ALDH1A1HPGD
SCHEMBL8564824 0.82 PTAFR (0.45) PTAFRPLAUMMP1ADAMTS5MMP9
SCHEMBL8571542 0.81 ALDH1A1 (0.39) PTAFRMMP1ALDH1A1HPGDBMP1
SCHEMBL8563675 0.76 MMP2 (0.47) NPSR1PLAUMMP1ALDH1A1HPGD
SCHEMBL8569264 0.76 MMP2 (0.47) NPSR1PLAUMMP1ALDH1A1HPGD
SCHEMBL8563029 0.76 PTAFR (0.41) PTAFRPLAUALDH1A1HPGDBMP1
SCHEMBL8568591 0.76 PTAFR (0.41) PTAFRPLAUALDH1A1HPGDBMP1
SCHEMBL6722457 0.75 LMNA (0.45) MMP1MMP9MMP13ADAM17MMP3
SCHEMBL8584285 0.75 PTAFR (0.42) PTAFRPLAUMMP1ALDH1A1HPGD

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