SCHEMBL2562013

SCHEMBL2562013

O=Cc1cccc(-c2csc(C(=O)O)c2)c1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALAD P13716 2/20 0.44
ERN1 O75460 11/20 0.41
DAO P14920 2/20 0.38
HNF4A P41235 1/20 0.37
TLR2 O60603 1/20 0.36
TLR1 Q15399 1/20 0.36
TLR6 Q9Y2C9 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
EIF4E P06730 1/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
THRB P10828 1/20 0.35
PLCG1 P19174 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 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
SCHEMBL10057578 0.79 ALAD (0.46) ALADDAOHNF4AHDAC6MEN1
Bromide SCHEMBL1706568 0.78 ALAD (0.45) ALADDAOHNF4AHDAC6MEN1
SCHEMBL2556740 0.75 ERN1 (0.61) ERN1MEN1NPC1ALDH1A1POLB
SCHEMBL31364059 0.74 ERN1 (0.55) ERN1HNF4ATLR2TLR1TLR6
SCHEMBL1043113 0.74 ERN1 (0.55) ERN1HNF4ATLR2TLR1TLR6
SCHEMBL2561443 0.74 ERN1 (0.53) ERN1HNF4ATLR2TLR1TLR6
SCHEMBL2557135 0.74 ERN1 (0.60) ALADERN1
SCHEMBL2560433 0.74 ALAD (0.54) ALADERN1DAOHDAC6
SCHEMBL1761887 0.72 ALAD (0.59) ALADDAOHDAC6MEN1POLB
SCHEMBL16439936 0.72 ERN1 (0.67) ERN1TLR2TLR1TLR6MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 US disclosed
EP-3540059-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2019-09-18 EP disclosed
EP-2558577-B1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION AS (DK) 2018-12-12 EP disclosed
US-20130281324-A1 BI-FUNCTINAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2013-10-24 US disclosed
EP-2558577-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2013-02-20 EP disclosed
WO-2011127933-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2011-10-20 WO disclosed