SCHEMBL7592834

SCHEMBL7592834

CCOC(=O)Cn1c(=O)c2c(CC#N)c(-c3ccc(OC)cc3)sc2n(Cc2ccccc2SC)c1=O

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 17/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
EDNRB P24530 1/20 0.39

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
SCHEMBL7593828 0.91 GNRHR (0.42) GNRHRMEN1KMT2AEDNRB
SCHEMBL7597266 0.90 GNRHR (0.42) GNRHRMEN1KMT2AEDNRB
SCHEMBL7591452 0.90 GNRHR (0.43) GNRHRMEN1KMT2AEDNRB
SCHEMBL7597400 0.89 GNRHR (0.48) GNRHRMEN1KMT2AEDNRB
SCHEMBL8230062 0.87 GNRHR (0.40) GNRHRMEN1KMT2AEDNRB
SCHEMBL7596779 0.86 GNRHR (0.43) GNRHRMEN1KMT2AEDNRB
SCHEMBL7591456 0.83 GNRHR (0.36) GNRHRMEN1KMT2AEDNRB
SCHEMBL7593495 0.82 L3MBTL1 (0.38) GNRHRMEN1KMT2AEDNRB
SCHEMBL7594585 0.81 GNRHR (0.41) GNRHRMEN1KMT2AEDNRB
SCHEMBL7592330 0.81 MEN1 (0.40) GNRHRMEN1KMT2A

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