SCHEMBL6167954

SCHEMBL6167954

N#CCCn1nc(CCC2CCCC2)c2c1CCC2=O

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.32
CTSK P43235 1/20 0.30

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
SCHEMBL6167721 0.84 HTT (0.48) HTT
SCHEMBL6164339 0.76 HTT (0.34) HTT
SCHEMBL6162649 0.69 PARP1 (0.37)
SCHEMBL6167036 0.66 RIPK3 (0.39)
SCHEMBL6166684 0.64 MAOB (0.33)
SCHEMBL6166686 0.64 MAOB (0.33)
SCHEMBL6165490 0.64 LMNA (0.49) HTT
SCHEMBL6167558 0.64 BRD4 (0.31)
SCHEMBL6165983 0.64 ATM (0.44)
SCHEMBL6166254 0.64 ALDH1A1 (0.38)

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