SCHEMBL2554101

SCHEMBL2554101

COc1cccc(OC)c1-c1nc(C=O)c[nH]1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR2 O60603 1/20 0.39
ERN1 O75460 1/20 0.39
TLR1 Q15399 1/20 0.39
TLR6 Q9Y2C9 1/20 0.39
TOP1 P11387 1/20 0.36
ALDH1A1 P00352 5/20 0.35
KDM4E B2RXH2 2/20 0.35
HPGD P15428 2/20 0.35
ABL1 P00519 1/20 0.34
RAD52 P43351 1/20 0.34
RIN1 Q13671 1/20 0.34
ELANE P08246 1/20 0.34
HSP90AA1 P07900 1/20 0.34
HSP90AB1 P08238 1/20 0.34
SRC P12931 1/20 0.34
TNKS O95271 1/20 0.34
TNKS2 Q9H2K2 1/20 0.34
PARP2 Q9UGN5 1/20 0.34
HTR1A P08908 1/20 0.34
HTR7 P34969 1/20 0.34

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
SCHEMBL2561500 0.90 MEN1 (0.44) TLR2ERN1TLR1TLR6ALDH1A1
SCHEMBL2553826 0.90 LRRK2 (0.43) TLR2ERN1TLR1TLR6ALDH1A1
SCHEMBL2559741 0.83 MAPT (0.54) ERN1ALDH1A1KDM4EHPGDMEN1
SCHEMBL15332409 0.83 DCUN1D1 (0.48) ERN1ALDH1A1HPGDSMN1; SMN2
SCHEMBL2561480 0.82 FGFR1 (0.45) TLR2ERN1TLR1TLR6ALDH1A1
SCHEMBL15329585 0.81 GUSB (0.49) TLR2ERN1TLR1TLR6ALDH1A1
SCHEMBL2558813 0.81 ERN1 (0.45) TLR2ERN1TLR1TLR6ALDH1A1
SCHEMBL2554914 0.79 TRIM24 (0.40) ALDH1A1ELANETNKSTNKS2
SCHEMBL2556390 0.77 ERN1 (0.47) ERN1ALDH1A1HPGDLRRK2MEN1
SCHEMBL2558953 0.77 PRMT1 (0.40) ERN1ALDH1A1KDM4EHPGDHSP90AA1

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