SCHEMBL6180352

SCHEMBL6180352

COc1ccccc1Oc1c(Cl)nc(-c2ccnc(C=NNN)c2)nc1NS(=O)(=O)c1ccc(C)cn1

nearest known ligand 0.60

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 20/20 0.60
EDNRB P24530 16/20 0.60

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
SCHEMBL6786069 0.85 EDNRA (0.82) EDNRAEDNRB
SCHEMBL6176379 0.84 EDNRA (0.62) EDNRAEDNRB
SCHEMBL6784469 0.83 EDNRA (0.71) EDNRAEDNRB
SCHEMBL7990407 0.82 EDNRA (0.61) EDNRAEDNRB
SCHEMBL7889730 0.82 EDNRA (0.62) EDNRAEDNRB
SCHEMBL6179576 0.81 DHPS (0.59)
SCHEMBL5035301 0.80 EDNRA (0.66) EDNRAEDNRB
SCHEMBL6180587 0.80 EDNRA (0.61) EDNRAEDNRB
SCHEMBL6784030 0.80 EDNRA (0.67) EDNRAEDNRB
SCHEMBL6179187 0.80 DHPS (0.44)

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-0979822-B1 Process for the preparation of 2-carbamoyl-pyridines HOFFMANN LA ROCHE (CH) 2005-11-30 EP claimed