SCHEMBL12856457

SCHEMBL12856457

Bc1cc(/C=C2\C(=O)Nc3ccc(-c4csc(N)n4)cc32)cc(C)c1O

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 6/20 0.51
▸ RAF1 P04049 7/20 0.44
▸ PIK3C3 Q8NEB9 1/20 0.42
▸ MAPT P10636 3/20 0.40
▸ POLB P06746 2/20 0.40
▸ HTT P42858 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ EGFR P00533 2/20 0.40
▸ ERBB2 P04626 1/20 0.40
▸ PDGFRB P09619 1/20 0.40
▸ MAP1LC3B Q9GZQ8 3/20 0.39
▸ HPGD P15428 2/20 0.39
▸ PSEN1 P49768 1/20 0.39
▸ PSEN2 P49810 1/20 0.39
▸ APH1B Q8WW43 1/20 0.39
▸ NCSTN Q92542 1/20 0.39
▸ APH1A Q96BI3 1/20 0.39
▸ PSENEN Q9NZ42 1/20 0.39
▸ NTRK1 P04629 1/20 0.39

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
SCHEMBL5776196 0.84 RAF1 (0.64) LRRK2RAF1PIK3C3MAPTPOLB
SCHEMBL1395119 0.84 LRRK2 (0.64) LRRK2RAF1PIK3C3MAPTPOLB
SCHEMBL5776199 0.84 RAF1 (0.64) LRRK2RAF1PIK3C3MAPTPOLB
SCHEMBL1395120 0.84 LRRK2 (0.64) LRRK2RAF1PIK3C3MAPTPOLB
SCHEMBL5774037 0.77 RAF1 (0.62) LRRK2RAF1PIK3C3MAPTEGFR
SCHEMBL1395231 0.77 LRRK2 (0.62) LRRK2RAF1PIK3C3MAPTPOLB
SCHEMBL5774040 0.77 RAF1 (0.62) LRRK2RAF1PIK3C3MAPTEGFR
SCHEMBL1395230 0.77 LRRK2 (0.62) LRRK2RAF1PIK3C3MAPTPOLB
SCHEMBL13838786 0.77 RAF1 (0.65) LRRK2RAF1MAPTPOLBHTT
SCHEMBL7982266 0.74 RAF1 (0.44) LRRK2RAF1PIK3C3MAPTPOLB

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-1364212-B1 THREE HYBRID ASSAY SYSTEM GPC BIOTECH AG (DE) 2011-02-02 — — EP disclosed
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