SCHEMBL12439934

SCHEMBL12439934

Bc1c2cccnc2nn1C

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ HSP90AA1 P07900 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ MAOB P27338 7/20 0.35
▸ SLC6A2 P23975 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ GRM4 Q14833 1/20 0.34
▸ KAT2B Q92831 3/20 0.33
▸ FEN1 P39748 1/20 0.33
▸ SSTR4 P31391 1/20 0.33
▸ KDM5A P29375 1/20 0.33
▸ KDM4C Q9H3R0 1/20 0.33
▸ KDM5B Q9UGL1 1/20 0.33
▸ ACHE P22303 1/20 0.33
▸ LMNA P02545 1/20 0.33

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
SCHEMBL21297851 0.78 L3MBTL1 (0.42) L3MBTL1NPC1HSP90AA1KDM4EMAPT
Ammonia Solution, Strong SCHEMBL28358675 0.77 L3MBTL1 (0.41) L3MBTL1NPC1HSP90AA1KDM4EMAPT
SCHEMBL25966739 0.74 KAT2B (0.35) L3MBTL1NPC1HSP90AA1KDM4EMAPT
SCHEMBL570108 0.72 KDM4E (0.41) L3MBTL1KDM4EMAPTMAOBKAT2B
SCHEMBL31221234 0.72 BRD4 (0.43) L3MBTL1NPC1HSP90AA1KDM4EMAPT
SCHEMBL626956 0.67 L3MBTL1 (0.54) L3MBTL1NPC1HSP90AA1KDM4EMAPT
SCHEMBL1747623 0.67 GSK3B (0.54) L3MBTL1NPC1HSP90AA1MAPTHTT
SCHEMBL20551427 0.65 KDM5A (0.44) L3MBTL1NPC1HSP90AA1KDM4EMAPT
SCHEMBL22149167 0.65 DYRK1A (0.49) L3MBTL1NPC1HSP90AA1KDM4EFEN1
SCHEMBL31298603 0.65 KDM5A (0.44) L3MBTL1NPC1HSP90AA1KDM4EMAPT

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
WO-2011095450-A1 CYCLOHEXYL AMIDE DERIVATIVES AS CRF RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2011-08-11 — — WO disclosed
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