SCHEMBL4064012

SCHEMBL4064012

Cc1c(C(=O)O)c2cccnc2n1-c1ccncc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP14 P54578 1/20 0.47
PTGDR2 Q9Y5Y4 3/20 0.45
FEN1 P39748 1/20 0.44
ALDH1A1 P00352 2/20 0.43
GAA P10253 1/20 0.43
GFER P55789 1/20 0.43
TSHR P16473 1/20 0.43
CYP2C19 P33261 1/20 0.43
KDM4E B2RXH2 4/20 0.42
MAPT P10636 2/20 0.42
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42
ATM Q13315 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
PABPC1 P11940 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL4062698 0.83 PTGDR2 (0.50) USP14PTGDR2FEN1MEN1POLB
SCHEMBL15176400 0.74 PTGDR2 (0.40) PTGDR2KDM4EL3MBTL1DHODHKDM4C
SCHEMBL1150402 0.74 FEN1 (0.52) FEN1ALDH1A1TSHRCYP2C19KDM4E
SCHEMBL16344498 0.73 PDE4B (0.44) USP14ALDH1A1GAATSHRPDE4B
SCHEMBL4064009 0.72 EGFR (0.46) PTGDR2FEN1ALDH1A1KDM4EMAPT
SCHEMBL18378565 0.70 PTGDR2 (0.46) PTGDR2ALDH1A1GAAKDM4EMAPT
SCHEMBL16344949 0.70 PTGDR2 (0.46) PTGDR2ALDH1A1KDM4EMAPTATM
SCHEMBL21314031 0.70 PTGDR2 (0.45) PTGDR2ALDH1A1KDM4EMAPTATM
SCHEMBL16344944 0.70 PTGDR2 (0.57) PTGDR2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL16344674 0.70 PTGDR2 (0.45) PTGDR2ALDH1A1KDM4EMAPTATM

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-1641791-B1 3-(GUANIDINOCARBONYL)HETEROCYCLE DERIVATIVES, PREPARATION PROCESS AND INTERMEDIATES OF THIS PROCESS, THEIR USE AS MEDICAMENTS, AND PHARMACEUTICAL COMPOSITIONS INCLUDING THEM SANOFI AVENTIS DEUTSCHLAND (DE) 2009-07-29 EP disclosed