SCHEMBL21677175

SCHEMBL21677175

COC1CN(C(=O)OC(C)(C)C)Cc2nc(COC3CCCCO3)sc21

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GLS O94925 3/20 0.32
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
GPR119 Q8TDV5 1/20 0.31
PDE4B Q07343 2/20 0.31
ICAM1 P05362 1/20 0.30
SELE P16581 1/20 0.30
EHMT2 Q96KQ7 1/20 0.30
PDE7A Q13946 1/20 0.30

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
SCHEMBL21664519 0.91 GLS (0.31) GLSMEN1ALDH1A1MAPTKMT2A
SCHEMBL21638837 0.89 MEN1 (0.34) GLSMEN1ALDH1A1MAPTKMT2A
SCHEMBL21677174 0.88 GLS (0.33) GLSMEN1KMT2AGPR119PDE4B
SCHEMBL21638845 0.82 EP300 (0.31) MEN1KMT2AICAM1SELE
SCHEMBL21638846 0.81 GLS (0.31) GLS
SCHEMBL21677173 0.81 NR1H2 (0.37) GLSMEN1KMT2AGPR119EHMT2
SCHEMBL21677171 0.73 NR1H2 (0.32) GLSMAPTGPR119EHMT2
SCHEMBL21638843 0.73 NR1H2 (0.35) GLS
SCHEMBL21677172 0.68 GPR119 (0.38) ALDH1A1MAPTGPR119
SCHEMBL21638838 0.67 NR1H2 (0.34) GLSALDH1A1GPR119EHMT2

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-2020025543-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE IN PREVENTING OR TREATING BACTERIAL INFECTIONS MUTABILIS (FR) 2020-02-06 WO disclosed