SCHEMBL7851914

SCHEMBL7851914

COc1ccc(Cl)c(Oc2c(OCCO)ncnc2C(N)=O)c1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 8/20 0.49
EDNRB P24530 6/20 0.49
DHPS P49366 9/20 0.42
SCN9A Q15858 1/20 0.39
KMO O15229 1/20 0.38
FLT1 P17948 1/20 0.36
FLT4 P35916 1/20 0.36
KDR P35968 1/20 0.36

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
SCHEMBL4426889 0.87 EDNRA (0.49) EDNRAEDNRBDHPS
SCHEMBL7851591 0.81 DHPS (0.56) EDNRAEDNRBDHPS
SCHEMBL8329894 0.77 EDNRA (0.60) EDNRAEDNRB
SCHEMBL4426886 0.76 EDNRA (0.38) EDNRAEDNRBDHPSSCN9AKDR
SCHEMBL8354976 0.75 EDNRA (0.67) EDNRAEDNRBSCN9A
Benzamide SCHEMBL7592195 0.74 EDNRA (0.69) EDNRAEDNRBDHPS
SCHEMBL9092381 0.73 EDNRA (0.58) EDNRAEDNRB
SCHEMBL14380740 0.73 EDNRA (0.78) EDNRAEDNRB
SCHEMBL8321011 0.73 EDNRA (0.76) EDNRAEDNRB
SCHEMBL6972287 0.73 DHPS (0.42) EDNRAEDNRBDHPS

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-0713875-B1 Sulfonamides HOFFMANN LA ROCHE (CH) 2001-03-21 EP claimed