SCHEMBL365103

SCHEMBL365103

N#CCOc1cc(OCCc2ccccc2)c2c(C#N)c3ccccc3n2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.38
HTT P42858 6/20 0.38
TSHR P16473 5/20 0.38
LMNA P02545 5/20 0.38
NPSR1 Q6W5P4 2/20 0.38
POLB P06746 1/20 0.38
FNTA P49354 2/20 0.37
FNTB P49356 2/20 0.37
PGGT1B P53609 2/20 0.37
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36
MAPK1 P28482 4/20 0.35
CYP11B1 P15538 3/20 0.35
CYP11B2 P19099 3/20 0.35
CYP19A1 P11511 2/20 0.35
ALDH1A1 P00352 2/20 0.35

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
SCHEMBL365402 0.91 PSEN1 (0.38) MAPTHTTTSHRLMNANPSR1
SCHEMBL366695 0.90 MKNK1 (0.41) MAPTHTTTSHRLMNANPSR1
SCHEMBL366915 0.90 PSEN1 (0.37) MAPTHTTTSHRLMNANPSR1
SCHEMBL366073 0.85 ALKBH1 (0.36) MAPTNPSR1POLBPSEN1PSEN2
SCHEMBL366080 0.84 ALDH1A1 (0.38) MAPTHTTTSHRLMNANPSR1
SCHEMBL364641 0.83 PLK1 (0.38) MAPTNPSR1POLBPSEN1PSEN2
SCHEMBL365082 0.81 CYP11B2 (0.40) MAPTNPSR1CYP11B1CYP11B2ALDH1A1
SCHEMBL366906 0.81 HTT (0.37) MAPTHTTTSHRLMNANPSR1
SCHEMBL366565 0.78 ALDH1A1 (0.39) MAPTHTTPOLBPSEN1PSEN2
SCHEMBL364643 0.77 CYP11B1 (0.40) HTTTSHRLMNACYP11B1CYP11B2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012007008-A1 INHIBITORS OF HDME EPITHERAPEUTICS APS (DK) 2012-01-19 WO claimed
WO-2012007008-A1 INHIBITORS OF HDME EPITHERAPEUTICS APS (DK) 2012-01-19 WO disclosed