SCHEMBL688779

SCHEMBL688779

CCOC(=O)OC1=CN(C(=O)c2csc(-c3cccs3)n2)CCc2c1[nH]c1ccccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 4/20 0.45
KMT2A Q03164 5/20 0.41
MAPT P10636 4/20 0.41
MEN1 O00255 3/20 0.41
ALDH1A1 P00352 3/20 0.41
NPSR1 Q6W5P4 3/20 0.41
LMNA P02545 2/20 0.41
PPARG P37231 1/20 0.41
NCOA2 Q15596 1/20 0.41
NCOA1 Q15788 1/20 0.41
NCOA3 Q9Y6Q9 1/20 0.41
GAA P10253 2/20 0.38
AURKA O14965 1/20 0.37
MAPK10 P53779 1/20 0.37
RIPK1 Q13546 1/20 0.37
KDM4E B2RXH2 4/20 0.37
CHEK1 O14757 1/20 0.36
MAPK1 P28482 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
RAB9A P51151 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
SCHEMBL688979 0.90 NR1H4 (0.47) NR1H4KMT2AMAPTMEN1ALDH1A1
SCHEMBL275335 0.88 NR1H4 (0.60) NR1H4KMT2AMAPTMEN1ALDH1A1
SCHEMBL687797 0.78 NR1H4 (0.46) NR1H4KMT2AMAPTMEN1ALDH1A1
SCHEMBL274417 0.78 NR1H4 (0.62) NR1H4KMT2AMAPTMEN1ALDH1A1
SCHEMBL715227 0.74 CDC7 (0.43) NR1H4KMT2AMAPTALDH1A1NPSR1
SCHEMBL687825 0.73 NR1H4 (0.53) NR1H4KMT2AMAPTMEN1ALDH1A1
SCHEMBL687997 0.73 NR1H4 (0.53) NR1H4KMT2AMAPTALDH1A1KDM4E
SCHEMBL275298 0.72 NR1H4 (0.73) NR1H4KMT2AMAPTMEN1ALDH1A1
SCHEMBL275878 0.71 NR1H4 (0.62) NR1H4KMT2AMAPTMEN1ALDH1A1
SCHEMBL275464 0.70 NR1H4 (0.69) NR1H4KMT2AMAPTMEN1ALDH1A1

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
EP-1532153-B1 AZEPINOINDOLE AND PYRIDOINDOLE DERIVATIVES AS PHARMACEUTICAL AGENTS X CEPTOR THERAPEUTICS INC (US) 2012-02-29 EP claimed