SCHEMBL7997033

SCHEMBL7997033

COc1ccccc1Oc1c(N)nc(-c2ccnc(C#N)c2)nc1OCC1CCCO1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 1/20 0.49
EDNRA P25101 1/20 0.49
DHPS P49366 16/20 0.46
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
USP2 O75604 1/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
IRAK1 P51617 1/20 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
SCHEMBL7997029 0.91 EDNRA (0.49) EDNRBEDNRADHPSALDH1A1KDM4E
SCHEMBL7996807 0.87 DHPS (0.53) EDNRBEDNRADHPS
SCHEMBL7993553 0.87 DHPS (0.50) EDNRBEDNRADHPS
SCHEMBL7997005 0.84 EDNRA (0.52) EDNRADHPS
SCHEMBL7993994 0.83 EDNRB (0.56) EDNRBEDNRADHPS
SCHEMBL5032708 0.83 DHPS (0.53) DHPS
SCHEMBL7993871 0.82 EDNRB (0.56) EDNRBEDNRADHPS
SCHEMBL7997032 0.82 EDNRB (0.59) EDNRBEDNRADHPS
SCHEMBL6584039 0.82 DHPS (0.69) EDNRBEDNRADHPS
SCHEMBL7993551 0.78 EDNRA (0.49) EDNRBEDNRADHPS

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