SCHEMBL2106978

SCHEMBL2106978

NC(=O)C(OC(=O)c1cc2cc(Cl)ncc2[nH]1)c1cccnc1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.39
MMP13 P45452 1/20 0.39
MMP14 P50281 1/20 0.39
IDO1 P14902 9/20 0.39
PDGFRB P09619 1/20 0.36
PDGFRA P16234 1/20 0.36
MAP2K1 Q02750 1/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PYGL P06737 1/20 0.35
DRD2 P14416 1/20 0.35
DRD3 P35462 1/20 0.35
CHEK1 O14757 1/20 0.34

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
SCHEMBL1608873 0.87 IDO1 (0.53) MMP2MMP13MMP14IDO1PDGFRB
SCHEMBL2107451 0.83 MEN1 (0.35) MMP2MMP13KDM4ELMNATP53
SCHEMBL2106977 0.73 PYGL (0.45) IDO1PYGL
SCHEMBL2606820 0.73 PYGL (0.45) IDO1PYGL
SCHEMBL13271409 0.70 CCNC (0.44) MMP2MMP13MAP2K1LMNAPYGL
SCHEMBL1202395 0.70 MAP2K1 (0.48) IDO1MAP2K1L3MBTL1PYGL
SCHEMBL4721594 0.68 CHEK1 (0.44) IDO1PDGFRBKDM4ELMNAPYGL
SCHEMBL2107472 0.67 PYGL (0.51) IDO1MAP2K1PYGL
SCHEMBL1202654 0.67 ALOX15 (0.59) MMP2MMP13MMP14KDM4ELMNA
SCHEMBL31030817 0.67 ALOX15 (0.59) MMP2MMP13MMP14KDM4ELMNA

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
US-8158622-B2 Pyrrolopyridine-2-carboxylic acid amide inhibitors of glycogen phosphorylase PROSIDION LIMITED (GB) 2012-04-17 US disclosed