SCHEMBL6166704

SCHEMBL6166704

CC(C)Cc1nn(CCO)c2c1C(=O)CCC2

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.64
LMNA P02545 1/20 0.32
TSHR P16473 1/20 0.32
CSNK2A1 P68400 2/20 0.31
PLK1 P53350 1/20 0.31
PLK3 Q9H4B4 1/20 0.31
CSNK2A2 P19784 1/20 0.31
CSNK2B P67870 1/20 0.31
ABCG2 Q9UNQ0 1/20 0.31

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
SCHEMBL6167101 0.85 HTT (0.56) HTT
SCHEMBL6164099 0.82 HTT (0.66) HTTLMNATSHRCSNK2A1PLK1
SCHEMBL6167293 0.81 HTT (0.42) HTTLMNATSHRCSNK2A1PLK1
SCHEMBL6164656 0.81 HTT (0.68) HTTCSNK2A1PLK1PLK3CSNK2A2
SCHEMBL6167888 0.79 HTT (0.39) HTTCSNK2A1CSNK2A2CSNK2BABCG2
SCHEMBL6166123 0.79 ALPL (0.43) HTTLMNA
SCHEMBL6165167 0.79 HTT (1.00) HTTLMNATSHRCSNK2A1PLK1
SCHEMBL6166859 0.78 HTT (0.39) HTT
SCHEMBL6165245 0.78 HTT (0.68) HTTLMNATSHRCSNK2A1PLK1
SCHEMBL6168258 0.73 HTT (0.65) HTTCSNK2A1PLK1PLK3

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
EP-1177185-B1 4, 5, 6, 7-TETRAHYDROINDAZOLE DERIVATIVES AS ANTITUMOR AGENTS PHARMACIA ITALIA SPA (IT) 2005-04-20 EP disclosed
US-6716856-B1 CELL PROLIFERATIVE DISORDERS OR ALZHEIMER'S DISEASE; REDUCED TOXICITY; CDK/CYCLIN KINASE INHIBITORY ACTIVITY PHARMACIA & TUBJOHN SPA (IT) 2004-04-06 US disclosed