SCHEMBL8570381

SCHEMBL8570381

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

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BMP1 P13497 5/20 0.34
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KEAP1 Q14145 4/20 0.32
ALDH1A1 P00352 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HIF1A Q16665 1/20 0.32
NFE2L2 Q16236 2/20 0.32
NR1I2 O75469 1/20 0.31
MMP2 P08253 2/20 0.31
MMP9 P14780 2/20 0.31
MMP8 P22894 2/20 0.31
MMP13 P45452 2/20 0.31
TAS2R14 Q9NYV8 1/20 0.31
PTAFR P25105 1/20 0.31

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
SCHEMBL8563759 0.93 PTAFR (0.35) BMP1KEAP1ALDH1A1PTAFR
SCHEMBL8562710 0.92 PTAFR (0.38) BMP1TSHRSMN1; SMN2ALDH1A1NPSR1
SCHEMBL8570931 0.91 BMP1 (0.31) BMP1
SCHEMBL8565325 0.87 PTAFR (0.38) ALDH1A1PTAFR
SCHEMBL8569673 0.85 PTAFR (0.38) ALDH1A1MMP2MMP9MMP8MMP13
SCHEMBL8562738 0.84 PTAFR (0.36) BMP1KEAP1ALDH1A1NFE2L2PTAFR
SCHEMBL8561445 0.83 PTAFR (0.36) PTAFR
SCHEMBL8565735 0.80 PTAFR (0.39) ALDH1A1PTAFR
SCHEMBL8561481 0.80 PTAFR (0.49) SMN1; SMN2ALDH1A1NPSR1PTAFR
SCHEMBL8565372 0.78 PTAFR (0.41) ALDH1A1MMP2MMP13PTAFR

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