SCHEMBL7993553

SCHEMBL7993553

COc1ccccc1Oc1c(N)nc(-c2ccnc(CO)c2)nc1OCC1CCCO1

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DHPS P49366 14/20 0.50
EDNRA P25101 4/20 0.49
EDNRB P24530 3/20 0.49
IRAK4 Q9NWZ3 1/20 0.41
POLB P06746 1/20 0.40
PKM P14618 1/20 0.40

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
SCHEMBL7993551 0.91 EDNRA (0.49) DHPSEDNRAEDNRBIRAK4POLB
SCHEMBL7996807 0.87 DHPS (0.53) DHPSEDNRAEDNRB
SCHEMBL7997033 0.87 EDNRB (0.49) DHPSEDNRAEDNRB
SCHEMBL7997005 0.84 EDNRA (0.52) DHPSEDNRA
SCHEMBL7993994 0.83 EDNRB (0.56) DHPSEDNRAEDNRB
SCHEMBL5035343 0.83 DHPS (0.61) DHPSEDNRAEDNRB
SCHEMBL7993871 0.82 EDNRB (0.56) DHPSEDNRAEDNRBIRAK4
SCHEMBL7997032 0.82 EDNRB (0.59) DHPSEDNRAEDNRB
SCHEMBL7994062 0.81 EDNRA (0.72) DHPSEDNRAEDNRB
SCHEMBL7997029 0.79 EDNRA (0.49) DHPSEDNRAEDNRBIRAK4POLB

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
WO-2001081338-A1 SUBSTITUTED SULFONYLAMINOPYRIMIDINES ACTELION PHARMACEUTICALS LTD (CH) 2001-11-01 WO disclosed