SCHEMBL2018295

SCHEMBL2018295

CCn1c(CNC(=O)O)nc2ccc(O)cc21

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.52
RPS6KA5 O75582 1/20 0.47
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
HDAC6 Q9UBN7 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ACSS2 Q9NR19 4/20 0.42
TP53 P04637 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
POLB P06746 1/20 0.41

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
SCHEMBL2018097 0.88 HTT (0.59) HTTMEN1KMT2AHDAC6SMN1; SMN2
SCHEMBL20191187 0.86 HTT (0.51) HTTRPS6KA5MEN1KMT2AHDAC6
SCHEMBL20204947 0.84 MTNR1A (0.55) HTTACSS2MAPT
SCHEMBL12636253 0.83 ACSS2 (0.47) HTTRPS6KA5SMN1; SMN2ACSS2LMNA
SCHEMBL4036510 0.83 S1PR1 (0.52) HTTACSS2
SCHEMBL2014823 0.78 HTT (0.45) HTTRPS6KA5MEN1KMT2ATP53
SCHEMBL17066160 0.78 RPS6KA5 (0.45) HTTRPS6KA5MEN1KMT2AHDAC6
SCHEMBL12636271 0.76 HTT (0.39) HTTRPS6KA5MEN1KMT2AHDAC6
SCHEMBL2041269 0.75 GAA (0.44) RPS6KA5HDAC6ACSS2MAPT
SCHEMBL16408252 0.73 RPS6KA5 (0.43) HTTRPS6KA5SMN1; SMN2ACSS2TP53

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-2011079087-A1 ENAC BLOCKERS GLAXO GROUP LIMITED (GB) 2011-06-30 WO disclosed