SCHEMBL8569349

SCHEMBL8569349

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

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADAMTS4 O75173 1/20 0.38
MMP9 P14780 6/20 0.35
MMP2 P08253 5/20 0.35
MMP8 P22894 5/20 0.35
MMP13 P45452 5/20 0.35
MMP12 P39900 2/20 0.35
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
ITGA4 P13612 1/20 0.31
ADAMTS5 Q9UNA0 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
SCHEMBL8566997 0.86 ADAMTS4 (0.37) ADAMTS4MMP9MMP2MMP8MMP13
SCHEMBL8569673 0.84 PTAFR (0.38) ADAMTS4MMP9MMP2MMP8MMP13
SCHEMBL8561481 0.80 PTAFR (0.49) ALDH1A1HPGDITGA4
SCHEMBL8571598 0.78 GAA (0.41) MMP9MMP13ALDH1A1
SCHEMBL8564422 0.78 AGER (0.30)
SCHEMBL8565372 0.77 PTAFR (0.41) ADAMTS4MMP2MMP13ALDH1A1ITGA4
SCHEMBL8562738 0.77 PTAFR (0.36) ALDH1A1HPGD
SCHEMBL8569517 0.76 PTAFR (0.35)
SCHEMBL8570622 0.76 PTAFR (0.35)
SCHEMBL8563029 0.75 PTAFR (0.41) ALDH1A1HPGD

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 1 patent. 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