SCHEMBL5203877

SCHEMBL5203877

Nc1ncc(Oc2ccc(F)cc2Cl)c(NC2(O)CCCCC2)n1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
SLC22A12 Q96S37 1/20 0.35
SLC6A2 P23975 2/20 0.34
SLC6A3 Q01959 2/20 0.34
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
SCN9A Q15858 2/20 0.33
MET P08581 3/20 0.32
SLC6A4 P31645 1/20 0.32
RET P07949 1/20 0.32
KIT P10721 1/20 0.32
PDGFRA P16234 1/20 0.32
KDR P35968 1/20 0.32
FLT3 P36888 1/20 0.32
P2RX3 P56373 1/20 0.32
P2RX2 Q9UBL9 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) NPC1RAB9ASLC6A2SLC6A3SLC6A4
SCHEMBL5202529 0.85 MET (0.41) SLC22A12SLC6A2SLC6A3SCN9AMET
SCHEMBL5206507 0.81 SLC6A2 (0.39) NPC1RAB9ASLC6A2SLC6A3SCN9A
SCHEMBL5207523 0.79 CCNC (0.39) SCN9A
SCHEMBL5206090 0.76 BCL6 (0.42) SLC22A12SLC6A2SLC6A3SCN9ASLC6A4
SCHEMBL7161086 0.75 MAPK14 (0.43) NPC1RAB9AFLT3
SCHEMBL7161091 0.75 MAPK14 (0.43) NPC1RAB9AFLT3
SCHEMBL5207644 0.75 MAPT (0.35) NPC1RAB9ASCN9AMET
SCHEMBL5206305 0.75 MAPT (0.33) NPC1RAB9A
SCHEMBL5206436 0.72 MAPT (0.38) NPC1RAB9A

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