SCHEMBL436602

SCHEMBL436602

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.44
DYRK1A Q13627 2/20 0.34
MAPK13 O15264 1/20 0.34
CDK1 P06493 1/20 0.34
PIM1 P11309 1/20 0.34
PIM3 Q86V86 1/20 0.34
CLK4 Q9HAZ1 1/20 0.34
NR4A2 P43354 2/20 0.33
KMT5B Q4FZB7 1/20 0.33
KMT5C Q86Y97 1/20 0.33
SOS2 Q07890 1/20 0.33
CASP6 P55212 1/20 0.32
CYP3A4 P08684 2/20 0.32
ALDH1A1 P00352 1/20 0.32
PDGFRB P09619 1/20 0.32
PDGFRA P16234 1/20 0.32
GLP1R P43220 1/20 0.32
TYMS P04818 1/20 0.30
TSHR P16473 1/20 0.30
DHFR P00374 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
SCHEMBL441831 0.82 ALDH1A1 (0.46) ACHECYP3A4ALDH1A1PDGFRBTSHR
SCHEMBL438598 0.82 ACHE (0.41) ACHEDYRK1AMAPK13CDK1PIM1
SCHEMBL439464 0.78 NR4A2 (0.55) ACHENR4A2SOS2
SCHEMBL437503 0.76 TNF (0.35) ACHEALDH1A1DHFR
SCHEMBL442268 0.75 ACHE (0.46) ACHEPIM1CYP3A4ALDH1A1
SCHEMBL440082 0.75 LMNA (0.47) ACHEALDH1A1TSHR
SCHEMBL438239 0.75 ACHE (0.46) ACHENR4A2SOS2
SCHEMBL438932 0.75 ACHE (0.46) ACHENR4A2SOS2
SCHEMBL439645 0.75 ACHE (0.46) ACHENR4A2
SCHEMBL442137 0.75 HTT (0.49) ACHEPIM1PIM3CYP3A4ALDH1A1

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