SCHEMBL791663

SCHEMBL791663

O=C(O)C=NC(=O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 5/20 0.44
CES2 O00748 4/20 0.44
ALDH1A1 P00352 3/20 0.44
TSHR P16473 2/20 0.44
DAO P14920 1/20 0.44
NAPRT Q6XQN6 1/20 0.44
TDP1 Q9NUW8 4/20 0.43
MAPK1 P28482 2/20 0.43
AKT1 P31749 1/20 0.41
CA2 P00918 3/20 0.41
CA12 O43570 3/20 0.41
CA1 P00915 3/20 0.41
CA9 Q16790 3/20 0.41
CYP3A4 P08684 2/20 0.41
MAPT P10636 2/20 0.41
CA4 P22748 2/20 0.41
HSD17B10 Q99714 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
POLB P06746 1/20 0.41
PARP1 P09874 1/20 0.41

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
SCHEMBL791662 1.00 CES1 (0.44) CES1CES2ALDH1A1TSHRDAO
SCHEMBL14479051 0.78 TSHR (0.48) CES1CES2ALDH1A1TSHRTDP1
SCHEMBL10024365 0.78 TSHR (0.48) CES1CES2ALDH1A1TSHRTDP1
SCHEMBL4900468 0.77 TDP1 (0.46) CES1CES2ALDH1A1TSHRDAO
SCHEMBL28825945 0.77 CES1 (0.44) CES1CES2ALDH1A1TSHRDAO
SCHEMBL15689787 0.77 TDP1 (0.46) CES1CES2ALDH1A1TSHRDAO
SCHEMBL13341652 0.77 CES1 (0.44) CES1CES2ALDH1A1TSHRDAO
SCHEMBL3077773 0.76 PLA2G7 (0.53) CES1CES2ALDH1A1TSHRDAO
SCHEMBL14327772 0.76 PLA2G7 (0.53) CES1CES2ALDH1A1TSHRDAO
SCHEMBL13819560 0.76 TDP1 (0.46) CES1CES2ALDH1A1TSHRDAO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2616501-B1 APPARATUS FOR REMOVAL OF IONS COMPRISING AN ION EXCHANGE MEMBRANE THAT COMPRISES A CROSSLINKED HYPERBRANCHED (CO)POLYMER (A CROSSLINKED HBP) WITH ION EXCHANGE GROUPS VOLTEA BV (NL) 2017-12-06 EP disclosed
US-20130284601-A1 METHOD FOR PREPARING AN ANION EXCHANGE MEMBRANE WITH ION EXCHANGE GROUPS AND AN APPARATUS FOR REMOVAL OF IONS VOLTEA B.V. (NL) 2013-10-31 US disclosed
EP-2641654-A1 Method for preparing an anion exchange membrane with ion exchange groups and an apparatus for removal of ions Voltea B.V. (NL) 2013-09-25 EP disclosed
US-20130186761-A1 APPARATUS FOR REMOVAL OF IONS COMPRISING AN ION EXCHANGE MEMBRANE THAT COMPRISES A CROSSLINKED HYPERBRANCHED (CO)POLYMER (A CROSSLINKED HBP) WITH ION EXCHANGE GROUPS VOLTEA B.V. (NL) 2013-07-25 US disclosed
EP-2616501-A1 APPARATUS FOR REMOVAL OF IONS COMPRISING AN ION EXCHANGE MEMBRANE THAT COMPRISES A CROSSLINKED HYPERBRANCHED (CO)POLYMER (A CROSSLINKED HBP) WITH ION EXCHANGE GROUPS Voltea B.V. (NL) 2013-07-24 EP disclosed
WO-2012036554-A1 APPARATUS FOR REMOVAL OF IONS COMPRISING AN ION EXCHANGE MEMBRANE THAT COMPRISES A CROSSLINKED HYPERBRANCHED (CO)POLYMER (A CROSSLINKED HBP) WITH ION EXCHANGE GROUPS VOLTEA B.V. (NL) 2012-03-22 WO disclosed