SCHEMBL7593455

SCHEMBL7593455

CCCOc1ccc(-c2sc3c(c2CNS(C)(=O)=O)c(=O)n(CC(=O)OCC)c(=O)n3Cc2ccccc2SC)cc1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 8/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
MAPT P10636 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
ALDH1A1 P00352 3/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KCNH2 Q12809 1/20 0.32
TP53 P04637 1/20 0.31
GAA P10253 1/20 0.31
POLB P06746 1/20 0.31
EDNRB P24530 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
SCHEMBL7598723 0.97 GNRHR (0.36) GNRHRL3MBTL1MAPTNPSR1MEN1
SCHEMBL7598726 0.95 L3MBTL1 (0.37) GNRHRL3MBTL1MAPTNPSR1MEN1
SCHEMBL7595931 0.93 GNRHR (0.36) GNRHRL3MBTL1MAPTNPSR1MEN1
SCHEMBL7597312 0.93 MEN1 (0.36) GNRHRMEN1KMT2AALDH1A1LMNA
SCHEMBL7592912 0.93 GNRHR (0.37) GNRHRMEN1KMT2AALDH1A1LMNA
SCHEMBL7596779 0.92 GNRHR (0.43) GNRHRMEN1KMT2AEDNRB
SCHEMBL7595053 0.92 GNRHR (0.35) GNRHRMEN1KMT2AKCNH2EDNRB
SCHEMBL7597198 0.92 NPSR1 (0.37) GNRHRNPSR1MEN1KMT2AALDH1A1
SCHEMBL7594581 0.91 GNRHR (0.35) GNRHRMEN1KMT2AALDH1A1LMNA
SCHEMBL7597705 0.91 MEN1 (0.37) GNRHRL3MBTL1MAPTMEN1KMT2A

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