SCHEMBL7591509

SCHEMBL7591509

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

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 15/20 0.37
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
EDNRB P24530 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL7595931 0.93 GNRHR (0.36) GNRHRMEN1KMT2AALDH1A1LMNA
SCHEMBL7592912 0.93 GNRHR (0.37) GNRHRMEN1KMT2AEDNRBALDH1A1
SCHEMBL7593195 0.93 GNRHR (0.37) GNRHRMEN1KMT2AEDNRBALDH1A1
SCHEMBL7592033 0.92 GNRHR (0.37) GNRHRKMT2AEDNRB
SCHEMBL7598751 0.91 GNRHR (0.36) GNRHRMEN1KMT2AEDNRBALDH1A1
SCHEMBL7594085 0.91 GNRHR (0.36) GNRHRMEN1KMT2AEDNRBALDH1A1
SCHEMBL7594584 0.90 GNRHR (0.36) GNRHRMEN1KMT2AEDNRBALDH1A1
SCHEMBL7591456 0.87 GNRHR (0.36) GNRHRMEN1KMT2AEDNRBALDH1A1
SCHEMBL7597198 0.87 NPSR1 (0.37) GNRHRMEN1KMT2AALDH1A1LMNA
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