SCHEMBL8563759

SCHEMBL8563759

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

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 1/20 0.35
POLB P06746 1/20 0.32
ALDH1A1 P00352 1/20 0.32
BMP1 P13497 1/20 0.32
TP53 P04637 1/20 0.31
KEAP1 Q14145 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
SCHEMBL8565325 0.94 PTAFR (0.38) PTAFRPOLBALDH1A1TP53
SCHEMBL8570381 0.93 BMP1 (0.34) PTAFRALDH1A1BMP1KEAP1
SCHEMBL8570931 0.91 BMP1 (0.31) BMP1
SCHEMBL8562710 0.90 PTAFR (0.38) PTAFRPOLBALDH1A1BMP1
SCHEMBL8562738 0.89 PTAFR (0.36) PTAFRPOLBALDH1A1BMP1TP53
SCHEMBL8561445 0.88 PTAFR (0.36) PTAFR
SCHEMBL8569673 0.85 PTAFR (0.38) PTAFRALDH1A1
SCHEMBL8565735 0.84 PTAFR (0.39) PTAFRPOLBALDH1A1TP53
SCHEMBL8561481 0.84 PTAFR (0.49) PTAFRPOLBALDH1A1TP53
SCHEMBL8567796 0.82 PTAFR (0.38) PTAFRPOLBALDH1A1

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