SCHEMBL8556891

SCHEMBL8556891

Nc1ccc2c(c1)[N]C(=O)C(=O)N2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RET P07949 6/20 0.37
ALK Q9UM73 3/20 0.37
FLT3 P36888 2/20 0.37
PDPK1 O15530 1/20 0.37
RPS6KA3 P51812 2/20 0.36
CA9 Q16790 3/20 0.36
TGM2 P21980 1/20 0.34
CES1 P23141 1/20 0.34
CHEK1 O14757 2/20 0.33
PIM1 P11309 1/20 0.33
CA12 O43570 2/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
PARP1 P09874 1/20 0.32
MAPKAPK2 P49137 1/20 0.32
CSNK2A1 P68400 1/20 0.32
PLK3 Q9H4B4 1/20 0.32
KDM4E B2RXH2 2/20 0.32
MEN1 O00255 2/20 0.32
MAPT P10636 2/20 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
SCHEMBL1695075 0.81 CA9 (0.38) RETALKFLT3PDPK1RPS6KA3
SCHEMBL5760370 0.78 ROS1 (0.46) RETPDPK1CA9TGM2CES1
SCHEMBL8555812 0.78 TGM2 (0.50) RETFLT3TGM2CES1PIM1
SCHEMBL8555842 0.78 KMT2A (0.39) FLT3RPS6KA3CA9TGM2CES1
SCHEMBL8558339 0.75 PDPK1 (0.45) PDPK1CHEK1
SCHEMBL2429783 0.75 JUN (0.44) PARP1KMT2A
SCHEMBL8555149 0.74 CA1 (0.39) CA9TGM2CES1CA12CA1
SCHEMBL2334055 0.73 EPHX2 (0.41) TGM2CES1MAPKAPK2
SCHEMBL554552 0.72 MAPT (0.46) RETALKFLT3RPS6KA3PIM1
SCHEMBL8557868 0.71 CES1 (0.34) TGM2CES1MEN1MAPTKMT2A

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-0647137-A4 GLYCINE RECEPTOR ANTAGONISTS AND THE USE THEREOF. UNIV CALIFORNIA WEBER ECKARD (US) 1998-09-16 EP disclosed
EP-0647137-A1 GLYCINE RECEPTOR ANTAGONISTS AND THE USE THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1995-04-12 EP disclosed