SCHEMBL7700308

SCHEMBL7700308

COc1ccccc1Oc1c(Cl)nc(-c2cnccn2)nc1Cl

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DHPS P49366 14/20 0.51
EDNRB P24530 3/20 0.44
EDNRA P25101 3/20 0.44
LMNA P02545 1/20 0.43
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
POLB P06746 1/20 0.39
L3MBTL1 Q9Y468 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
SCHEMBL7698527 0.92 DHPS (0.65) DHPS
SCHEMBL7698526 0.88 DHPS (0.46) DHPSEDNRBEDNRA
SCHEMBL9423908 0.85 LMNA (0.55) DHPSLMNAMEN1KMT2AALDH1A1
SCHEMBL7694584 0.84 EDNRB (0.44) DHPSEDNRBEDNRALMNAMEN1
SCHEMBL29770374 0.80 DHPS (0.58) DHPSEDNRBEDNRA
SCHEMBL618135 0.80 DHPS (0.58) DHPSEDNRBEDNRA
SCHEMBL7294963 0.80 DHPS (0.62) DHPSMEN1KMT2AALDH1A1GAA
SCHEMBL14380592 0.79 EDNRB (0.70) EDNRBEDNRA
SCHEMBL4071996 0.78 DHPS (0.67) DHPSEDNRBEDNRAGAA
SCHEMBL14380586 0.78 EDNRB (0.58) EDNRBEDNRALMNAALDH1A1GAA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7285549-B2 Sulfamides and their use as endothelin receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2007-10-23 US disclosed
US-7285549-B2 Sulfamides and their use as endothelin receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2007-10-23 US disclosed
WO-2002083650-A1 NOVEL SULFONYLAMINO-PYRIMIDINES ACTELION PHARMACEUTICALS LTD (CH) 2002-10-24 WO disclosed