SCHEMBL2829327

SCHEMBL2829327

N/C(=C1/C(=O)Nc2ccccc21)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.50
▸ LRRK2 Q5S007 3/20 0.48
▸ MAOA P21397 1/20 0.48
▸ MAOB P27338 1/20 0.48
▸ PDGFRA P16234 1/20 0.48
▸ FER P16591 1/20 0.48
▸ LTK P29376 1/20 0.48
▸ CDK8 P49336 1/20 0.48
▸ ACVR1 Q04771 1/20 0.48
▸ DYRK1B Q9Y463 1/20 0.48
▸ IDO1 P14902 4/20 0.48
▸ TDO2 P48775 1/20 0.48
▸ ALDH1A1 P00352 4/20 0.47
▸ MAPT P10636 4/20 0.47
▸ NPSR1 Q6W5P4 3/20 0.47
▸ LMNA P02545 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.44
▸ PKM P14618 1/20 0.44

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
SCHEMBL2829329 1.00 TDP1 (0.50) TDP1LRRK2MAOAMAOBPDGFRA
SCHEMBL13207305 0.89 PLK4 (0.50) TDP1LRRK2MAOAMAOBPDGFRA
SCHEMBL2826121 0.89 PLK4 (0.50) TDP1LRRK2MAOAMAOBPDGFRA
SCHEMBL2826123 0.89 PLK4 (0.50) TDP1LRRK2MAOAMAOBPDGFRA
SCHEMBL13207307 0.87 TDP1 (0.49) TDP1LRRK2MAOAMAOBPDGFRA
SCHEMBL2829139 0.87 TDP1 (0.49) TDP1LRRK2MAOAMAOBPDGFRA
SCHEMBL2829194 0.87 TDP1 (0.49) TDP1LRRK2MAOAMAOBPDGFRA
SCHEMBL4999345 0.87 TDP1 (0.52) TDP1LRRK2MAOAMAOBPDGFRA
SCHEMBL13207359 0.87 TDP1 (0.49) TDP1LRRK2MAOAMAOBPDGFRA
SCHEMBL2829197 0.87 TDP1 (0.49) TDP1LRRK2MAOAMAOBPDGFRA

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
EP-1891008-B1 OXINDOLES AS KINASE INHIBITORS MERCK PATENT GMBH (DE) 2010-06-30 — — EP disclosed
Send feedback