SCHEMBL2556451

SCHEMBL2556451

CCNC(=O)CN(C)c1c(F)cc(C=O)cc1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
PTGES O14684 1/20 0.34
ALOX5 P09917 1/20 0.34
PTGS1 P23219 1/20 0.34
STAT3 P40763 1/20 0.34
NFE2L2 Q16236 1/20 0.34
FFAR4 Q5NUL3 1/20 0.33
HPGD P15428 1/20 0.33
RAB9A P51151 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
SLC9A3 P48764 1/20 0.31
LMNA P02545 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
TP53 P04637 1/20 0.31
GAA P10253 1/20 0.31
HTT P42858 1/20 0.31
ERN1 O75460 1/20 0.30
ADORA3 P0DMS8 1/20 0.30
ADORA2A P29274 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
SCHEMBL2555782 0.89 MEN1 (0.35) ALDH1A1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL2558078 0.87 ALDH1A1 (0.41) ALDH1A1PTGESALOX5PTGS1STAT3
SCHEMBL2561584 0.85 ALDH1A1 (0.40) ALDH1A1PTGESALOX5PTGS1STAT3
SCHEMBL29955419 0.83 ALDH1A1 (0.44) ALDH1A1SLC9A3SMN1; SMN2
SCHEMBL2561754 0.81 ALDH1A1 (0.41) ALDH1A1PTGESALOX5PTGS1STAT3
SCHEMBL29954750 0.79 HPGD (0.40) ALDH1A1HPGDLMNAGAA
SCHEMBL2555463 0.78 ALDH1A1 (0.38) ALDH1A1PTGESALOX5PTGS1STAT3
SCHEMBL29957049 0.76 ALDH1A1 (0.47) ALDH1A1HPGDRAB9ASMN1; SMN2GAA
SCHEMBL29954285 0.75 ALDH1A3 (0.47) ALDH1A1RAB9ASMN1; SMN2
SCHEMBL29956220 0.74 ALDH1A1 (0.46) ALDH1A1HPGDSMN1; SMN2

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