SCHEMBL7603455

SCHEMBL7603455

O=C(O)CC1N=Cc2ccccc2N1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 4/20 0.42
HSD17B10 Q99714 2/20 0.37
GLA P06280 1/20 0.37
NOS2 P35228 1/20 0.34
MAPT P10636 4/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
KDM4E B2RXH2 3/20 0.34
ALDH1A1 P00352 3/20 0.34
RAB9A P51151 2/20 0.34
TP53 P04637 2/20 0.34
ALOX15 P16050 2/20 0.34
NPC1 O15118 1/20 0.34
HPGD P15428 1/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
GAA P10253 4/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
PTPRA P18433 1/20 0.31
CASP1 P29466 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
SCHEMBL29427860 0.75 MAPT (0.39) EGFRMAPTMEN1KMT2AKDM4E
SCHEMBL379859 0.75 MAPT (0.39) EGFRMAPTMEN1KMT2AKDM4E
SCHEMBL943810 0.70 EGFR (0.32) EGFRMAPTMAPK1GAASRC
SCHEMBL17338036 0.70 L3MBTL1 (0.35) HSD17B10GLANOS2ALDH1A1NPC1
SCHEMBL27988772 0.70 GAA (0.33) NOS2MAPTGAA
SCHEMBL28144059 0.69 GAA (0.30) MAPTGAA
SCHEMBL5500721 0.69 EGFR (0.43) EGFRHSD17B10GLAMAPTMEN1
SCHEMBL17336311 0.68 PKM (0.37)
SCHEMBL27764154 0.68
SCHEMBL29138002 0.67 ALDH1A1 (0.35) EGFRHSD17B10MAPTALDH1A1RAB9A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1263414-A1 PHARMACEUTICAL COMPOSITIONS OF GLYCOGEN PHOSPHORYLASE INHIBITORS Pfizer Products Inc. (US) 2002-12-11 EP disclosed
WO-2001068055-A1 PHARMACEUTICAL COMPOSITIONS OF GLYCOGEN PHOSPHORYLASE INHIBITORS PFIZER PRODUCTS INC. (US) 2001-09-20 WO disclosed