SCHEMBL7596779

SCHEMBL7596779

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

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 17/20 0.43
EDNRB P24530 1/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MMP2 P08253 1/20 0.35
MMP9 P14780 1/20 0.35
MMP12 P39900 1/20 0.35

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
SCHEMBL7592912 0.93 GNRHR (0.37) GNRHREDNRBMEN1KMT2A
SCHEMBL7597705 0.93 MEN1 (0.37) GNRHRMEN1KMT2A
SCHEMBL7593455 0.92 GNRHR (0.36) GNRHREDNRBMEN1KMT2A
SCHEMBL7598723 0.92 GNRHR (0.36) GNRHRMEN1KMT2A
SCHEMBL7597312 0.92 MEN1 (0.36) GNRHREDNRBMEN1KMT2A
SCHEMBL7591544 0.91 GNRHR (0.43) GNRHREDNRBKMT2AMMP2MMP9
SCHEMBL7597198 0.91 NPSR1 (0.37) GNRHRMEN1KMT2A
SCHEMBL7594581 0.91 GNRHR (0.35) GNRHREDNRBMEN1KMT2A
SCHEMBL7591160 0.90 ADORA2B (0.37) GNRHRMEN1KMT2A
SCHEMBL8230062 0.89 GNRHR (0.40) GNRHREDNRBMEN1KMT2A

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