SCHEMBL2558078

SCHEMBL2558078

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
ALDH1A3 P47895 2/20 0.37
ALDH3A1 P30838 2/20 0.37
PTGES O14684 1/20 0.33
ALOX5 P09917 1/20 0.33
PTGS1 P23219 1/20 0.33
STAT3 P40763 1/20 0.33
NFE2L2 Q16236 1/20 0.33
HPGD P15428 1/20 0.32
RAB9A P51151 2/20 0.31
FFAR4 Q5NUL3 3/20 0.31
PTGER4 P35408 1/20 0.31
NPC1 O15118 1/20 0.30
LMNA P02545 1/20 0.30
TP53 P04637 1/20 0.30
MAPT P10636 1/20 0.30
NFKB1 P19838 1/20 0.30
NFKB2 Q00653 1/20 0.30
RELA Q04206 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL2556451 0.87 ALDH1A1 (0.42) ALDH1A1PTGESALOX5PTGS1STAT3
SCHEMBL2562748 0.87 ALDH1A1 (0.38) ALDH1A1ALDH1A3ALDH3A1PTGESALOX5
SCHEMBL29954285 0.82 ALDH1A3 (0.47) ALDH1A1ALDH1A3ALDH3A1RAB9APTGER4
SCHEMBL2555782 0.76 MEN1 (0.35) ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL2558656 0.76 ALDH1A1 (0.38) ALDH1A1ALDH1A3ALDH3A1PTGESALOX5
SCHEMBL29955092 0.76 ALDH1A1 (0.62) ALDH1A1ALDH1A3ALDH3A1HPGDRAB9A
SCHEMBL29955419 0.74 ALDH1A1 (0.44) ALDH1A1ALDH1A3ALDH3A1PTGER4SMN1; SMN2
SCHEMBL29955288 0.72 ALDH1A3 (0.38) ALDH1A1ALDH1A3ALDH3A1HPGDLMNA
SCHEMBL29951697 0.72 ALDH1A3 (0.48) ALDH1A1ALDH1A3ALDH3A1HPGDSMN1; SMN2
SCHEMBL2555667 0.72 ALDH1A1 (0.35) ALDH1A1PTGESALOX5PTGS1STAT3

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