SCHEMBL6089033

SCHEMBL6089033

O=C1NN=C(c2ccco2)/C1=C\c1cc(Br)c(O)c(Br)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 7/20 0.48
LCK P06239 4/20 0.45
SIRT1 Q96EB6 4/20 0.43
LRRK2 Q5S007 3/20 0.41
MAP1LC3B Q9GZQ8 3/20 0.40
SIRT2 Q8IXJ6 2/20 0.40
SIRT3 Q9NTG7 2/20 0.40
PSEN1 P49768 1/20 0.40
PSEN2 P49810 1/20 0.40
APH1B Q8WW43 1/20 0.40
NCSTN Q92542 1/20 0.40
APH1A Q96BI3 1/20 0.40
PSENEN Q9NZ42 1/20 0.40
EGFR P00533 1/20 0.40
NTRK1 P04629 1/20 0.40
ARAF P10398 1/20 0.40
PIM1 P11309 1/20 0.40
BRAF P15056 1/20 0.40
CSNK2A1 P68400 1/20 0.40
PIM3 Q86V86 1/20 0.40

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
SCHEMBL6089037 1.00 RAF1 (0.48) RAF1LCKSIRT1LRRK2MAP1LC3B
SCHEMBL6089294 0.81 RAF1 (0.45) RAF1LCKSIRT1LRRK2MAP1LC3B
SCHEMBL6089299 0.81 RAF1 (0.45) RAF1LCKSIRT1LRRK2MAP1LC3B
SCHEMBL6089993 0.79 RAF1 (0.48) RAF1LCKSIRT1LRRK2MAP1LC3B
SCHEMBL6089988 0.79 RAF1 (0.48) RAF1LCKSIRT1LRRK2MAP1LC3B
SCHEMBL6089469 0.78 RAF1 (0.49) RAF1LCKSIRT1LRRK2MAP1LC3B
SCHEMBL6089459 0.78 RAF1 (0.49) RAF1LCKSIRT1LRRK2MAP1LC3B
SCHEMBL6087973 0.76 RAF1 (0.48) RAF1LCKSIRT1LRRK2MAP1LC3B
SCHEMBL6088131 0.76 RET (0.37) PIM1MEN1LMNAPOLBMAPT
SCHEMBL6088124 0.76 RET (0.37) PIM1MEN1LMNAPOLBMAPT

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