SCHEMBL21677174

SCHEMBL21677174

CONC1CN(C(=O)OC(C)(C)C)Cc2nc(COC3CCCCO3)sc21

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GLS O94925 3/20 0.33
TRPV3 Q8NET8 3/20 0.33
PDE4B Q07343 2/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
EHMT2 Q96KQ7 1/20 0.31
DDB1 Q16531 1/20 0.31
CRBN Q96SW2 1/20 0.31
KLKB1 P03952 2/20 0.31
LMNA P02545 2/20 0.31
PDE7A Q13946 1/20 0.31
GPR119 Q8TDV5 1/20 0.31
EPHX1 P07099 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
SCHEMBL21638846 0.88 GLS (0.31) GLS
SCHEMBL21677175 0.88 GLS (0.32) GLSPDE4BMEN1KMT2AEHMT2
SCHEMBL21638837 0.87 MEN1 (0.34) GLSPDE4BMEN1KMT2ADDB1
SCHEMBL21664519 0.84 GLS (0.31) GLSMEN1KMT2AGPR119
SCHEMBL21638845 0.75 EP300 (0.31) MEN1KMT2A
SCHEMBL21677173 0.68 NR1H2 (0.37) GLSMEN1KMT2AEHMT2DDB1
SCHEMBL21638825 0.67 NR1H2 (0.32) GLSEHMT2DDB1CRBNKLKB1
SCHEMBL20111128 0.67 MAPT (0.33) GLSEHMT2DDB1CRBNKLKB1
SCHEMBL21638843 0.66 NR1H2 (0.35) GLS
SCHEMBL23860091 0.65 NR1H2 (0.42) PDE4BMEN1KMT2AEPHX1

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