SCHEMBL7849577

SCHEMBL7849577

COc1ccc(-c2sc3c(c2C)c(=O)n(CC(=O)O)c(=O)n3Cc2ccccc2SC)cc1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 1/20 0.46
GNRHR P30968 8/20 0.44
ADORA2B P29275 2/20 0.44
TP53 P04637 3/20 0.42
POLB P06746 1/20 0.42
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
MMP12 P39900 1/20 0.38
TRPC5 Q9UL62 1/20 0.38

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
SCHEMBL7850957 0.92 ADORA2B (0.43) EDNRBGNRHRADORA2BTP53POLB
SCHEMBL7850919 0.92 ADORA2B (0.41) EDNRBGNRHRADORA2BTP53KMT2A
SCHEMBL7597400 0.91 GNRHR (0.48) EDNRBGNRHRADORA2BTP53POLB
SCHEMBL7851987 0.90 ADORA2B (0.40) EDNRBGNRHRADORA2BTP53KMT2A
SCHEMBL7854155 0.90 ADORA2B (0.42) EDNRBGNRHRADORA2BTP53POLB
SCHEMBL9285437 0.89 ADORA2B (0.41) EDNRBGNRHRADORA2BTP53POLB
SCHEMBL7594071 0.88 ADORA2B (0.54) ADORA2BKMT2A
SCHEMBL7851104 0.87 ADORA2B (0.40) ADORA2BTP53POLBKMT2AMEN1
SCHEMBL7852076 0.85 GNRHR (0.44) GNRHRADORA2BTP53POLBKMT2A
SCHEMBL7591544 0.85 GNRHR (0.43) EDNRBGNRHRKMT2AMMP2MMP9

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 6 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 claimed
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 claimed
EP-0640606-A1 Thienopyrimidine derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-03-01 EP claimed
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