SCHEMBL7594085

SCHEMBL7594085

CCOC(=O)Cn1c(=O)c2c(CNS(=O)(=O)c3ccccc3)c(-c3ccc(OCOC)cc3)sc2n(Cc2ccccc2SC)c1=O

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 8/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
LMNA P02545 2/20 0.34
TSHR P16473 4/20 0.33
ALDH1A1 P00352 1/20 0.33
EDNRB P24530 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
GAA P10253 1/20 0.32

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
SCHEMBL7593195 0.93 GNRHR (0.37) GNRHRMEN1KMT2ALMNAALDH1A1
SCHEMBL7592912 0.93 GNRHR (0.37) GNRHRMEN1KMT2ALMNAALDH1A1
SCHEMBL7593477 0.93 GNRHR (0.36) GNRHRKMT2ALMNATSHREDNRB
SCHEMBL7591509 0.91 GNRHR (0.37) GNRHRMEN1KMT2ALMNAALDH1A1
SCHEMBL7598751 0.91 GNRHR (0.36) GNRHRMEN1KMT2ALMNAALDH1A1
SCHEMBL7594584 0.90 GNRHR (0.36) GNRHRMEN1KMT2ALMNAALDH1A1
SCHEMBL7591456 0.87 GNRHR (0.36) GNRHRMEN1KMT2ALMNAALDH1A1
SCHEMBL804312 0.87 GNRHR (0.36) GNRHRKMT2AEDNRB
SCHEMBL7597312 0.86 MEN1 (0.36) GNRHRMEN1KMT2ALMNAALDH1A1
SCHEMBL7596779 0.86 GNRHR (0.43) GNRHRMEN1KMT2AEDNRB

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