SCHEMBL2016749

SCHEMBL2016749

CCNC(=O)CCc1ccc2nc(CNC(=O)c3nc(Cl)c(N)nc3N)n(CC)c2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACSS2 Q9NR19 4/20 0.41
HTT P42858 1/20 0.40
SCNN1A P37088 4/20 0.37
TP53 P04637 2/20 0.36
MAPT P10636 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
TSHR P16473 1/20 0.36
THPO P40225 1/20 0.36
HSD17B10 Q99714 1/20 0.36
HPGD P15428 2/20 0.36
KDM4E B2RXH2 1/20 0.35
GMNN O75496 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
GLA P06280 1/20 0.35
MAPK1 P28482 1/20 0.35
PMP22 Q01453 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL2018137 0.93 ACSS2 (0.39) ACSS2HTTSCNN1ATP53MAPT
SCHEMBL2014255 0.91 HTT (0.41) ACSS2HTTSCNN1ATP53MAPT
SCHEMBL2013943 0.91 ACSS2 (0.38) ACSS2HTTSCNN1AKMT2A
SCHEMBL2018304 0.90 HTT (0.40) ACSS2HTTSCNN1ATP53CYP1A2
SCHEMBL2020338 0.87 HTT (0.46) ACSS2HTTSCNN1ATP53MAPT
SCHEMBL12635756 0.85 HTT (0.49) ACSS2HTTTSHRKMT2A
SCHEMBL2014371 0.85 FKBP1A (0.41) ACSS2HTTSCNN1ATP53CYP1A2
SCHEMBL2040435 0.84 HTT (0.45) ACSS2HTTTP53MAPTCYP1A2
SCHEMBL2016331 0.84 HTT (0.52) ACSS2HTTSCNN1ATP53MAPT
SCHEMBL2014823 0.84 HTT (0.45) HTTSCNN1ATP53CYP1A2CYP3A4

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