SCHEMBL7593507

SCHEMBL7593507

CSc1ccccc1Cn1c(=O)n(CC(=O)O)c(=O)c2c(CNS(C)(=O)=O)c(-c3ccc(OCC(C)C)cc3)sc21

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 15/20 0.37
KMT2A Q03164 2/20 0.33
EDNRB P24530 1/20 0.33
KCNH2 Q12809 1/20 0.32
MEN1 O00255 1/20 0.31
DNMT1 P26358 1/20 0.31
BLM P54132 1/20 0.31
PLEC Q15149 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
NR1H4 Q96RI1 1/20 0.31
SCN5A Q14524 1/20 0.31
SCN9A Q15858 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
SCHEMBL7597198 0.92 NPSR1 (0.37) GNRHRKMT2AKCNH2MEN1
SCHEMBL7594784 0.91 GNRHR (0.35) GNRHRKMT2AEDNRBKCNH2MEN1
SCHEMBL6704311 0.91 GNRHR (0.36) GNRHRKMT2AEDNRBKCNH2
SCHEMBL7595053 0.91 GNRHR (0.35) GNRHRKMT2AEDNRBKCNH2MEN1
SCHEMBL7591544 0.91 GNRHR (0.43) GNRHRKMT2AEDNRB
SCHEMBL7590037 0.90 GNRHR (0.34) GNRHRKMT2AEDNRBKCNH2
SCHEMBL8189365 0.87 GNRHR (0.34) GNRHRKMT2AEDNRB
SCHEMBL7592033 0.86 GNRHR (0.37) GNRHRKMT2AEDNRBKCNH2
SCHEMBL7592371 0.86 GNRHR (0.35) GNRHRKMT2AEDNRB
SCHEMBL7597312 0.86 MEN1 (0.36) GNRHRKMT2AEDNRBMEN1

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