SCHEMBL2107451

SCHEMBL2107451

NC(=O)C(OC(=O)c1cc2cc(Cl)ncc2[nH]1)c1ccc(F)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
PYGL P06737 2/20 0.35
KDM4E B2RXH2 2/20 0.34
LMNA P02545 2/20 0.34
PDPK1 O15530 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
NFKB1 P19838 1/20 0.34
APEX1 P27695 1/20 0.34
CYP2C19 P33261 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
TP53 P04637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CHEK1 O14757 1/20 0.33
GRM2 Q14416 2/20 0.33
GUSB P08236 1/20 0.32

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
SCHEMBL2106978 0.83 MMP2 (0.39) PYGLKDM4ELMNATP53L3MBTL1
SCHEMBL2107450 0.72 PYGL (0.44) MEN1KMT2ARXFP1PYGLGUSB
SCHEMBL14144202 0.72 PYGL (0.51) PYGL
SCHEMBL13271409 0.72 CCNC (0.44) MEN1KMT2APYGLLMNACHEK1
SCHEMBL27637879 0.71 CTSA (0.47) MEN1KMT2ARXFP1PYGL
SCHEMBL1608873 0.69 IDO1 (0.53) MEN1KMT2APYGLFLT3MMP2
SCHEMBL1608889 0.69 GUSB (0.51) MEN1KMT2APYGLGUSBFLT3
SCHEMBL4721594 0.69 CHEK1 (0.44) MEN1KMT2APYGLKDM4ELMNA
SCHEMBL31030817 0.68 ALOX15 (0.59) MEN1KMT2AKDM4ELMNAALDH1A1
SCHEMBL1202654 0.68 ALOX15 (0.59) MEN1KMT2AKDM4ELMNAALDH1A1

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