SCHEMBL14775704

SCHEMBL14775704

O=C(O)OC1=Cc2cc(Cl)ccc2OC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.51
KMT2A Q03164 5/20 0.51
HTT P42858 3/20 0.51
MAPT P10636 8/20 0.48
KDM4E B2RXH2 3/20 0.48
LMNA P02545 2/20 0.48
NPSR1 Q6W5P4 2/20 0.48
ALDH1A1 P00352 1/20 0.48
POLB P06746 1/20 0.48
HPGD P15428 1/20 0.48
CA12 O43570 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
GAA P10253 2/20 0.40
HSP90AA1 P07900 1/20 0.40
TP53 P04637 1/20 0.39
NOTUM Q6P988 1/20 0.39
NPC1 O15118 2/20 0.39

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
SCHEMBL14775630 0.82 ALOX5 (0.49) MEN1KMT2AHTTMAPTLMNA
SCHEMBL7150887 0.78 ALOX5 (0.48) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL432482 0.77 MEN1 (0.66) MEN1KMT2AHTTMAPTKDM4E
SCHEMBL14775775 0.77 PTGS1 (0.51) PTGS1PTGS2MAOB
SCHEMBL3277849 0.75 MEN1 (0.68) MEN1KMT2AHTTMAPTKDM4E
SCHEMBL23722813 0.73 MEN1 (0.64) MEN1KMT2AHTTMAPTKDM4E
SCHEMBL29540348 0.73 MEN1 (0.64) MEN1KMT2AHTTMAPTKDM4E
SCHEMBL11526406 0.72 CA12 (0.66) MEN1KMT2AHTTMAPTKDM4E
SCHEMBL28731386 0.72 MEN1 (0.51) MEN1KMT2AHTTMAPTKDM4E
SCHEMBL10702114 0.71 ALOX5 (0.57) MEN1KMT2AHTTMAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2240467-B1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME EVOTEC AG (DE) 2013-03-20 EP claimed