SCHEMBL7852076

SCHEMBL7852076

COc1ccc(-c2sc3c(c2C)c(=O)n(CC(=O)O)c(=O)n3Cc2ccccc2[S+](C)[O-])cc1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 10/20 0.44
ADORA2B P29275 2/20 0.43
TP53 P04637 3/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
TRPC5 Q9UL62 1/20 0.37

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
SCHEMBL7849577 0.85 EDNRB (0.46) GNRHRADORA2BTP53POLBKMT2A
SCHEMBL7851611 0.81 GNRHR (0.49) GNRHRADORA2BTP53POLBKMT2A
SCHEMBL7850334 0.80 GNRHR (0.48) GNRHRADORA2BTP53POLBKMT2A
SCHEMBL9288539 0.78 GNRHR (0.46) GNRHRADORA2BTP53POLB
SCHEMBL7851652 0.78 GNRHR (0.51) GNRHRADORA2BTP53POLBKMT2A
SCHEMBL7850957 0.78 ADORA2B (0.43) GNRHRADORA2BTP53POLBKMT2A
SCHEMBL7850919 0.77 ADORA2B (0.41) GNRHRADORA2BTP53KMT2AMEN1
SCHEMBL7850471 0.77 GNRHR (0.48) GNRHRADORA2BTP53POLBKMT2A
SCHEMBL7597400 0.77 GNRHR (0.48) GNRHRADORA2BTP53POLBKMT2A
SCHEMBL7854155 0.76 ADORA2B (0.42) GNRHRADORA2BTP53POLBKMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0640606-B1 Thienopyrimidine derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2001-11-07 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
EP-0640606-A1 Thienopyrimidine derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-03-01 EP disclosed