SCHEMBL5202529

SCHEMBL5202529

Nc1ncc(Oc2ccc(Cl)cc2F)c(NC2(O)CCCCC2)n1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MET P08581 9/20 0.41
SLC6A2 P23975 2/20 0.34
SLC6A4 P31645 2/20 0.34
KCNH2 Q12809 1/20 0.34
SLC22A12 Q96S37 1/20 0.34
RET P07949 1/20 0.34
KIT P10721 1/20 0.34
PDGFRA P16234 1/20 0.34
KDR P35968 1/20 0.34
FLT3 P36888 1/20 0.34
TLR9 Q9NR96 1/20 0.33
TLR8 Q9NR97 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
EGLN1 Q9GZT9 1/20 0.33
SCN9A Q15858 4/20 0.32
FPR2 P25090 1/20 0.32
P2RX3 P56373 1/20 0.32
P2RX2 Q9UBL9 1/20 0.32
SLC6A3 Q01959 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
SCHEMBL5207653 0.89 POLB (0.38) SLC6A2SLC6A4KDRP2RX3P2RX2
SCHEMBL5206507 0.88 SLC6A2 (0.39) METSLC6A2SLC6A4KCNH2SCN9A
SCHEMBL5203877 0.85 NPC1 (0.36) METSLC6A2SLC6A4SLC22A12RET
SCHEMBL5207523 0.84 CCNC (0.39) KCNH2SCN9A
SCHEMBL5207181 0.76 BCL6 (0.40) METSLC6A2SLC6A4KCNH2KDR
SCHEMBL5203513 0.75 MAPK14 (0.43) METPDGFRAFLT3
SCHEMBL5203505 0.75 MAPK14 (0.43) METPDGFRAFLT3
SCHEMBL5207644 0.75 MAPT (0.35) METKCNH2SCN9A
SCHEMBL5206305 0.75 MAPT (0.33)
SCHEMBL5206436 0.72 MAPT (0.38)

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-1165523-B1 NEUROTROPHIC SUBSTITUTED PYRIMIDINES KRENITSKY PHARMACEUTICALS INC (US) 2007-11-07 EP claimed