SCHEMBL8303053

SCHEMBL8303053

COc1cc2cccc(C#N)c2[nH]1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 1/20 0.42
▸ NR3C2 P08235 1/20 0.42
▸ DYRK1A Q13627 4/20 0.40
▸ CLK1 P49759 3/20 0.40
▸ CLK2 P49760 2/20 0.40
▸ CLK4 Q9HAZ1 2/20 0.40
▸ CLK3 P49761 1/20 0.40
▸ CDK5 Q00535 1/20 0.40
▸ CDK5R1 Q15078 1/20 0.40
▸ DYRK1B Q9Y463 1/20 0.40
▸ KDM4E B2RXH2 3/20 0.38
▸ GAA P10253 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ GLA P06280 1/20 0.38
▸ MAOA P21397 2/20 0.38
▸ MAOB P27338 2/20 0.38
▸ POLB P06746 1/20 0.37
▸ BCHE P06276 1/20 0.36
▸ ACHE P22303 1/20 0.36

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
SCHEMBL3421985 0.80 KDM4E (0.43) NR3C1NR3C2DYRK1ACLK1CLK2
SCHEMBL29361472 0.79 TSHR (0.41) NR3C1NR3C2DYRK1ACLK1KDM4E
SCHEMBL15451009 0.79 TSHR (0.41) NR3C1NR3C2DYRK1ACLK1KDM4E
SCHEMBL12778112 0.77 DYRK1A (0.41) NR3C1NR3C2DYRK1ACLK1KDM4E
SCHEMBL26670773 0.75 GAA (0.46) NR3C1NR3C2KDM4EGAAALDH1A1
SCHEMBL7848657 0.75 NR3C1 (0.38) NR3C1NR3C2DYRK1ACLK1KDM4E
SCHEMBL23676495 0.75 DYRK1A (0.36) NR3C1NR3C2DYRK1ACLK1KDM4E
SCHEMBL12755314 0.75 NR3C1 (0.39) NR3C1NR3C2DYRK1ACLK1CLK2
SCHEMBL27336454 0.75 NR3C1 (0.43) NR3C1NR3C2DYRK1ACLK1KDM4E
SCHEMBL23660457 0.71 CYP2A6 (0.47) NR3C1NR3C2DYRK1ACLK1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0469833-B1 N-Benzyl-Indoles, processes for their preparation and pharmaceutical compositions containing them LILLY CO ELI (GB) 1999-09-08 — — EP disclosed
US-5281593-A Pharmaceuticals LILLY INDUSTRIES LIMITED (GB) 1994-01-25 — — US disclosed
EP-0469833-A1 N-Benzyl-Indoles, processes for their preparation and pharmaceutical compositions containing them LILLY INDUSTRIES LIMITED (GB) 1992-02-05 — — EP disclosed
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