SCHEMBL438598

SCHEMBL438598

Nc1c(Br)cnc2cc(Cl)c(Cl)cc12

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.41
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
EGFR P00533 1/20 0.32
FBP1 P09467 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
MAPK13 O15264 1/20 0.31
CDK1 P06493 1/20 0.31
PIM1 P11309 1/20 0.31
DYRK1A Q13627 1/20 0.31
PIM3 Q86V86 1/20 0.31
CLK4 Q9HAZ1 1/20 0.31
KMT5B Q4FZB7 1/20 0.31
KMT5C Q86Y97 1/20 0.31
NR4A2 P43354 2/20 0.31
SOS2 Q07890 1/20 0.31
CASP6 P55212 1/20 0.30

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
SCHEMBL436602 0.82 ACHE (0.44) ACHEMAPK13CDK1PIM1DYRK1A
SCHEMBL437551 0.78 NR4A2 (0.51) ACHEEGFRNR4A2SOS2
SCHEMBL437126 0.77 NOS3 (0.38) HTTKMT2A
SCHEMBL437195 0.76 UHRF1 (0.35) HTTKMT2AEGFR
SCHEMBL437952 0.73 ACHE (0.45) ACHEHTTKMT2A
SCHEMBL438613 0.73 BCHE (0.45) ACHEHTTPIM1PIM3
SCHEMBL21358444 0.73 PDPK1 (0.47) ACHEEGFR
SCHEMBL437503 0.72 TNF (0.35) ACHE
SCHEMBL438876 0.70 BCHE (0.43) ACHEHTTKMT2ACA1CA2
SCHEMBL439853 0.70 BCHE (0.43) ACHE

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
US-20120065166-A1 Bone Modulators And Methods Therewith ESPINA VIRGINIA (US) 2012-03-15 US disclosed