SCHEMBL8568542

SCHEMBL8568542

C=CCOC(=O)[C@H]([C@@H](C)CC)N(C)S(=O)(=O)c1ccc(Cc2[nH]ccc3nc(C)nc2-3)cc1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
MMP1 P03956 1/20 0.31
BMP1 P13497 1/20 0.30
PTAFR P25105 1/20 0.30

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
SCHEMBL8569349 0.87 ADAMTS4 (0.38) ALDH1A1HPGD
SCHEMBL8568591 0.86 PTAFR (0.41) ALDH1A1HPGDBMP1PTAFR
SCHEMBL8563029 0.86 PTAFR (0.41) ALDH1A1HPGDBMP1PTAFR
SCHEMBL8566997 0.80 ADAMTS4 (0.37) ALDH1A1HPGDMMP1
SCHEMBL8561481 0.78 PTAFR (0.49) ALDH1A1HPGDPTAFR
SCHEMBL8565202 0.77 MMP2 (0.34) ALDH1A1HPGDMMP1
SCHEMBL8565588 0.77 MMP2 (0.34) ALDH1A1HPGDMMP1
SCHEMBL8563698 0.76 PTAFR (0.36) PTAFR
SCHEMBL8571542 0.76 ALDH1A1 (0.39) ALDH1A1HPGDMMP1BMP1PTAFR
SCHEMBL8570622 0.76 PTAFR (0.35) PTAFR

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 7 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 claimed
EP-0605434-A1 IMIDAZO (4,5-C) PYRIDINE DERIVATIVES AS PAF ANTAGONISTS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1994-07-13 EP claimed
WO-1993002080-A1 IMIDAZO (4,5-C) PYRIDINE DERIVATIVES AS PAF ANTAGONISTS BRITISH BIO-TECHNOLOGY LIMITED (GB) 1993-02-04 WO claimed
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