SCHEMBL7598723

SCHEMBL7598723

CCCCOc1ccc(-c2sc3c(c2CNS(C)(=O)=O)c(=O)n(CC(=O)OCC)c(=O)n3Cc2ccccc2SC)cc1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 7/20 0.36
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
GAA P10253 1/20 0.34
LMNA P02545 3/20 0.32
NPSR1 Q6W5P4 2/20 0.32
ALDH1A1 P00352 2/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MAPT P10636 2/20 0.32
P2RX3 P56373 1/20 0.32
KCNH2 Q12809 1/20 0.32
TP53 P04637 1/20 0.31

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
SCHEMBL7593455 0.97 GNRHR (0.36) GNRHRMEN1KMT2AL3MBTL1GAA
SCHEMBL7592912 0.93 GNRHR (0.37) GNRHRMEN1KMT2ALMNAALDH1A1
SCHEMBL7597312 0.93 MEN1 (0.36) GNRHRMEN1KMT2ALMNAALDH1A1
SCHEMBL7594784 0.92 GNRHR (0.35) GNRHRMEN1KMT2AKCNH2
SCHEMBL7596779 0.92 GNRHR (0.43) GNRHRMEN1KMT2A
SCHEMBL7597198 0.92 NPSR1 (0.37) GNRHRMEN1KMT2ALMNANPSR1
SCHEMBL7598726 0.92 L3MBTL1 (0.37) GNRHRMEN1KMT2AL3MBTL1GAA
SCHEMBL7594581 0.91 GNRHR (0.35) GNRHRMEN1KMT2AGAALMNA
SCHEMBL7597705 0.91 MEN1 (0.37) GNRHRMEN1KMT2AL3MBTL1LMNA
SCHEMBL7595931 0.90 GNRHR (0.36) GNRHRMEN1KMT2AL3MBTL1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0846119-B1 THIENOPYRIMIDINE DERIVATIVES, THEIR PRODUCTION AND USE AS ENDOTHELIN ANTAGONISTS TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2002-11-13 EP disclosed
US-6140325-A HAS ENDOTHELIN ANTAGONISTIC ACTION; FOR TREATING LIVER HYPOFUNCTION, ACUTE RENAL INSUFFICIENCY, CARDIAC INFARCTION OR LIVER INSUFFICIENCY, VASOCONSTRICTION TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2000-10-31 US disclosed