SCHEMBL7594402

SCHEMBL7594402

CSc1ccccc1Cn1c(=O)n(CC(=O)O)c(=O)c2c(CNS(C)(=O)=O)c(-c3ccccc3OCC(=O)N3CCNCC3)sc21

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 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
SCHEMBL7594403 0.90 TPSAB1 (0.35)
SCHEMBL7593224 0.79 GNRHR (0.31) KMT2A
SCHEMBL7591544 0.78 GNRHR (0.43) KMT2A
SCHEMBL7590037 0.77 GNRHR (0.34) KMT2A
SCHEMBL7595053 0.77 GNRHR (0.35) KMT2A
SCHEMBL7594784 0.77 GNRHR (0.35) KMT2A
SCHEMBL6704311 0.77 GNRHR (0.36) KMT2A
SCHEMBL7593507 0.76 GNRHR (0.37) KMT2A
SCHEMBL7593479 0.76 ADORA2B (0.39) KMT2A
SCHEMBL7591083 0.75 ADORA2B (0.35)

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