SCHEMBL20979261

SCHEMBL20979261

Cc1ccc(-c2nc(CN3CCC(C(=O)NCCCN4CCCCC4)CC3)c(C)o2)cc1

nearest known ligand 0.74

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.74
L3MBTL1 Q9Y468 1/20 0.74
MEN1 O00255 1/20 0.74
KMT2A Q03164 1/20 0.74
MITF O75030 2/20 0.72
MAPK1 P28482 1/20 0.69
TP53 P04637 5/20 0.67
MAPT P10636 4/20 0.67
LMNA P02545 1/20 0.65
POLB P06746 2/20 0.64
THRB P10828 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
GAA P10253 1/20 0.59

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
SCHEMBL20979246 0.93 HTT (0.72) HTTL3MBTL1MEN1KMT2AMITF
SCHEMBL20979224 0.93 HTT (0.86) HTTL3MBTL1MEN1KMT2AMITF
SCHEMBL2353462 0.93 HTT (0.86) HTTL3MBTL1MEN1KMT2AMITF
SCHEMBL2355507 0.92 HTT (0.73) HTTL3MBTL1MEN1KMT2AMITF
SCHEMBL2362757 0.92 MEN1 (0.73) HTTL3MBTL1MEN1KMT2AMITF
SCHEMBL2363344 0.92 HTT (0.87) HTTL3MBTL1MEN1KMT2AMITF
SCHEMBL20979277 0.91 MEN1 (0.71) HTTL3MBTL1MEN1KMT2AMITF
SCHEMBL2363397 0.91 HTT (0.69) HTTL3MBTL1MEN1KMT2AMITF
SCHEMBL20979381 0.91 MEN1 (0.73) HTTL3MBTL1MEN1KMT2AMITF
SCHEMBL2362382 0.90 MEN1 (0.72) HTTL3MBTL1MEN1KMT2AMITF

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
EP-3154966-B1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF US HEALTH (US) 2019-05-08 EP disclosed