SCHEMBL7565817

SCHEMBL7565817

CCOC(=O)ON1CCN(C(=O)c2cc(NS(=O)(=O)c3ccc(SC)cc3)c(Oc3cccc(OC)c3)c(OCC(O)CO)c2)CC1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 3/20 0.53
ALDH1A1 P00352 9/20 0.38
MAPT P10636 3/20 0.38
GAA P10253 1/20 0.38
ALOX15 P16050 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
LMNA P02545 4/20 0.36
TSHR P16473 2/20 0.36
JAK2 O60674 1/20 0.36
EDNRA P25101 2/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
PKM P14618 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
NPSR1 Q6W5P4 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
SCHEMBL7573656 0.93 EDNRB (0.56) EDNRBALDH1A1MAPTGAAALOX15
SCHEMBL7570795 0.90 EDNRB (0.59) EDNRBALDH1A1MAPTGAAALOX15
SCHEMBL7565610 0.88 EDNRB (0.57) EDNRBALDH1A1HTTLMNATSHR
SCHEMBL7567507 0.83 EDNRB (0.66) EDNRBALDH1A1MAPTMAPK1LMNA
SCHEMBL7572798 0.83 EDNRB (0.64) EDNRBALDH1A1MAPTGAAALOX15
SCHEMBL7569450 0.82 EDNRB (0.53) EDNRBALDH1A1MAPTHTTLMNA
SCHEMBL7568095 0.79 EDNRB (0.81) EDNRBALDH1A1MAPTTDP1LMNA
SCHEMBL7567416 0.78 EDNRB (0.70) EDNRBALDH1A1GAAHTTLMNA
SCHEMBL7566571 0.76 EDNRB (0.56) EDNRBALDH1A1MAPTMAPK1HTT
SCHEMBL7569419 0.76 EDNRB (0.54) EDNRBALDH1A1MAPTGAAMAPK1

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-0799206-B1 ARYL- AND HETARYL-SULFONAMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS ENDOTHELIN ANTAGONISTS HOFFMANN LA ROCHE (CH) 2002-09-11 EP claimed