SCHEMBL2020396

SCHEMBL2020396

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

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.48
ACSS2 Q9NR19 13/20 0.44
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HDAC6 Q9UBN7 1/20 0.41
TP53 P04637 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL12635756 0.93 HTT (0.49) HTTACSS2MEN1KMT2AHDAC6
SCHEMBL2015541 0.92 HTT (0.46) HTTACSS2
SCHEMBL2017836 0.92 HTT (0.46) HTTACSS2MEN1KMT2AHDAC6
SCHEMBL2040435 0.89 HTT (0.45) HTTACSS2MEN1KMT2ATP53
SCHEMBL2020165 0.88 ACSS2 (0.46) HTTACSS2MEN1KMT2AHDAC6
SCHEMBL12636656 0.88 HTT (0.41) HTTACSS2MEN1KMT2AHDAC6
SCHEMBL2021620 0.86 HTT (0.45) HTTACSS2MEN1KMT2A
SCHEMBL2016331 0.86 HTT (0.52) HTTACSS2MEN1KMT2ATP53
SCHEMBL2014823 0.86 HTT (0.45) HTTMEN1KMT2ATP53LMNA
SCHEMBL2022069 0.86 ACSS2 (0.47) HTTACSS2MEN1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

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