SCHEMBL2018097

SCHEMBL2018097

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

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.59
ACSS2 Q9NR19 3/20 0.50
MAPT P10636 2/20 0.47
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
NTRK1 P04629 4/20 0.44
NTRK2 Q16620 4/20 0.44
HDAC6 Q9UBN7 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
KDM4E B2RXH2 1/20 0.43
THRB P10828 1/20 0.43
HPGD P15428 1/20 0.43
RAB9A P51151 1/20 0.43
TP53 P04637 1/20 0.43

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
SCHEMBL2018295 0.88 HTT (0.52) HTTACSS2MAPTMEN1KMT2A
SCHEMBL20191187 0.87 HTT (0.51) HTTACSS2MEN1KMT2AHDAC6
SCHEMBL20204947 0.85 MTNR1A (0.55) HTTACSS2MAPTRAB9A
SCHEMBL12635694 0.84 HTT (0.52) HTTACSS2MAPTMEN1KMT2A
SCHEMBL4036510 0.84 S1PR1 (0.52) HTTACSS2
SCHEMBL2018088 0.80 TNF (0.53) HTTACSS2MAPTMEN1KMT2A
SCHEMBL2016331 0.79 HTT (0.52) HTTACSS2MAPTMEN1KMT2A
SCHEMBL2492207 0.75 HTT (0.45) HTTACSS2MAPTMEN1KMT2A
SCHEMBL2043795 0.74 ACSS2 (0.49) HTTACSS2MAPTMEN1KMT2A
SCHEMBL7257387 0.74 MAPT (0.60) MAPTMEN1KMT2AKDM4ETHRB

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