SCHEMBL8566997

SCHEMBL8566997

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

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADAMTS4 O75173 1/20 0.37
MMP9 P14780 4/20 0.34
MMP13 P45452 3/20 0.34
MMP2 P08253 2/20 0.34
MMP8 P22894 2/20 0.34
MMP12 P39900 1/20 0.34
MMP1 P03956 2/20 0.33
ADAM17 P78536 1/20 0.33
ITGA4 P13612 1/20 0.33
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
AGER Q15109 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 0.86 ADAMTS4 (0.38) ADAMTS4MMP9MMP13MMP2MMP8
SCHEMBL8564422 0.84 AGER (0.30) AGER
SCHEMBL8569673 0.83 PTAFR (0.38) ADAMTS4MMP9MMP13MMP2MMP8
SCHEMBL8561481 0.81 PTAFR (0.49) ITGA4ALDH1A1HPGD
SCHEMBL8570622 0.78 PTAFR (0.35)
SCHEMBL8569517 0.78 PTAFR (0.35)
SCHEMBL8565372 0.78 PTAFR (0.41) ADAMTS4MMP13MMP2ITGA4ALDH1A1
SCHEMBL8568591 0.78 PTAFR (0.41) ALDH1A1HPGD
SCHEMBL8563029 0.78 PTAFR (0.41) ALDH1A1HPGD
SCHEMBL8563698 0.77 PTAFR (0.36)

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
EP-0605434-B1 IMIDAZO (4,5-C) PYRIDINE DERIVATIVES AS PAF ANTAGONISTS BRITISH BIOTECH PHARM (GB) 1998-08-19 EP 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