SCHEMBL2014255

SCHEMBL2014255

CCn1c(CNC(=O)c2nc(Cl)c(N)nc2N)nc2ccc(CCC(=O)O)cc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.41
ACSS2 Q9NR19 4/20 0.40
CTSA P10619 2/20 0.38
SCNN1A P37088 6/20 0.38
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2D6 P10635 2/20 0.37
THPO P40225 2/20 0.37
HSD17B10 Q99714 2/20 0.37
GAA P10253 2/20 0.37
TP53 P04637 1/20 0.37
CYP3A4 P08684 1/20 0.37
TSHR P16473 1/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
GLA P06280 2/20 0.37
HPGD P15428 2/20 0.37
NPC1 O15118 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL2016749 0.91 ACSS2 (0.41) HTTACSS2SCNN1AKMT2ACYP1A2
SCHEMBL2018304 0.91 HTT (0.40) HTTACSS2SCNN1AKMT2ACYP1A2
SCHEMBL2018137 0.89 ACSS2 (0.39) HTTACSS2SCNN1ACYP1A2CYP2D6
SCHEMBL2020338 0.89 HTT (0.46) HTTACSS2CTSASCNN1AKMT2A
SCHEMBL2013943 0.88 ACSS2 (0.38) HTTACSS2SCNN1AKMT2AGAA
SCHEMBL2014097 0.87 HTT (0.39) HTTACSS2CTSASCNN1AKMT2A
SCHEMBL2014371 0.86 FKBP1A (0.41) HTTACSS2SCNN1AKMT2ACYP1A2
SCHEMBL2040435 0.86 HTT (0.45) HTTACSS2CTSAKMT2AMEN1
SCHEMBL2017836 0.85 HTT (0.46) HTTACSS2SCNN1AKMT2AMEN1
SCHEMBL2016331 0.85 HTT (0.52) HTTACSS2CTSASCNN1AKMT2A

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