SCHEMBL6089582

SCHEMBL6089582

Nc1ccc(CCC2=NNC(=O)/C2=C/c2ccc(Cl)[nH]2)cc1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.33
CHEK1 O14757 1/20 0.31
MAOA P21397 1/20 0.30
MAOB P27338 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
SCHEMBL6089586 1.00 GFER (0.33) GFERCHEK1MAOAMAOB
SCHEMBL6091369 0.88 ESR1 (0.33)
SCHEMBL6091365 0.88 ESR1 (0.33)
SCHEMBL6092890 0.88 KDR (0.34)
SCHEMBL6092889 0.88 KDR (0.34)
SCHEMBL6088264 0.83 PDE3B (0.32) GFERMAOAMAOB
SCHEMBL6088268 0.83 PDE3B (0.32) GFERMAOAMAOB
SCHEMBL6088593 0.81 GFER (0.32) GFER
SCHEMBL6088598 0.81 GFER (0.32) GFER
SCHEMBL6091646 0.77 SIRT1 (0.42) GFERMAOAMAOB

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