SCHEMBL7594071

SCHEMBL7594071

COCCc1ccc(-c2sc3c(c2C)c(=O)n(CC(=O)O)c(=O)n3Cc2ccccc2SC)cc1

nearest known ligand 0.54

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 17/20 0.54
KMT2A Q03164 1/20 0.41

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
SCHEMBL7854741 0.91 ADORA2B (0.49) ADORA2BKMT2A
SCHEMBL7849577 0.88 EDNRB (0.46) ADORA2BKMT2A
SCHEMBL7850957 0.87 ADORA2B (0.43) ADORA2BKMT2A
SCHEMBL7593479 0.86 ADORA2B (0.39) ADORA2BKMT2A
SCHEMBL7854155 0.85 ADORA2B (0.42) ADORA2BKMT2A
SCHEMBL7850919 0.85 ADORA2B (0.41) ADORA2BKMT2A
SCHEMBL9285437 0.85 ADORA2B (0.41) ADORA2BKMT2A
SCHEMBL7851104 0.84 ADORA2B (0.40) ADORA2BKMT2A
SCHEMBL7851987 0.84 ADORA2B (0.40) ADORA2BKMT2A
SCHEMBL7591161 0.83 ADORA2B (0.40) ADORA2BKMT2A

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