SCHEMBL20979258

SCHEMBL20979258

CCCCNC(=O)C1CCN(Cc2nc(-c3ccc(Cl)cc3)oc2C)CC1

nearest known ligand 0.81

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.79
L3MBTL1 Q9Y468 3/20 0.79
MAPK1 P28482 2/20 0.76
MITF O75030 1/20 0.75
TP53 P04637 8/20 0.73
MAPT P10636 6/20 0.73
POLB P06746 3/20 0.73
LMNA P02545 3/20 0.72
NPSR1 Q6W5P4 2/20 0.72
USP2 O75604 1/20 0.72
TSHR P16473 1/20 0.72
GFER P55789 1/20 0.72
THRB P10828 1/20 0.69
MEN1 O00255 1/20 0.68
KMT2A Q03164 1/20 0.68
GAA P10253 1/20 0.63
SMN1; SMN2 Q16637 1/20 0.63

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
SCHEMBL2363344 0.90 HTT (0.87) HTTL3MBTL1MAPK1MITFTP53
SCHEMBL2353462 0.89 HTT (0.86) HTTL3MBTL1MAPK1MITFTP53
SCHEMBL20979224 0.89 HTT (0.86) HTTL3MBTL1MAPK1MITFTP53
SCHEMBL2362625 0.89 HTT (1.00) HTTL3MBTL1MAPK1MITFTP53
SCHEMBL2362550 0.88 HTT (0.76) HTTL3MBTL1MAPK1MITFTP53
SCHEMBL2363639 0.88 HTT (0.78) HTTL3MBTL1MAPK1MITFTP53
SCHEMBL18568448 0.88 MAPK1 (0.74) HTTL3MBTL1MAPK1MITFTP53
SCHEMBL18568486 0.88 NPSR1 (0.73) HTTL3MBTL1MAPK1MITFTP53
SCHEMBL9995982 0.88 TP53 (0.79) HTTL3MBTL1MAPK1MITFTP53
SCHEMBL2363074 0.87 HTT (0.77) HTTL3MBTL1MAPK1MITFTP53

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