SCHEMBL6089530

SCHEMBL6089530

O=C1NN=C(CCc2ccc(O)cc2)/C1=C\c1cc(Cl)c[nH]1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.34
DAO P14920 3/20 0.32
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
APH1B Q8WW43 1/20 0.32
NCSTN Q92542 1/20 0.32
APH1A Q96BI3 1/20 0.32
PSENEN Q9NZ42 1/20 0.32
LRRK2 Q5S007 1/20 0.32
LTA4H P09960 1/20 0.31
GPR84 Q9NQS5 1/20 0.31
NR1H3 Q13133 1/20 0.31
EGFR P00533 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
SCHEMBL6089536 1.00 PDPK1 (0.34) PDPK1DAOESR1ESR2PSEN1
SCHEMBL6088598 0.89 GFER (0.32) DAO
SCHEMBL6088593 0.89 GFER (0.32) DAO
SCHEMBL6089379 0.88 TUBB4A (0.37) DAOGPR84
SCHEMBL6090145 0.86 PDPK1 (0.34) PDPK1ESR1ESR2LTA4HGPR84
SCHEMBL6091365 0.81 ESR1 (0.33) PDPK1DAOESR1ESR2GPR84
SCHEMBL6090443 0.80 PDPK1 (0.45) PDPK1LRRK2
SCHEMBL6091332 0.79 CA12 (0.39) PDPK1ESR1ESR2
SCHEMBL6091331 0.79 CA12 (0.39) PDPK1ESR1ESR2
SCHEMBL6089527 0.75 PDGFRB (0.45) PDPK1DAOLRRK2

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-7060822-B1 2-pyrazolin-5-ones ABBOTT GMBH & CO. KG (DE) 2006-06-13 US disclosed