SCHEMBL7850334

SCHEMBL7850334

COc1ccccc1Cn1c(=O)n(CC(=O)O)c(=O)c2c(C)c(-c3ccc(OCSC)cc3)sc21

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 10/20 0.48
ADORA2B P29275 1/20 0.42
KMT2A Q03164 1/20 0.40
EDNRB P24530 1/20 0.39
MAPT P10636 3/20 0.38
TP53 P04637 2/20 0.38
POLB P06746 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
SCHEMBL9288539 0.93 GNRHR (0.46) GNRHRADORA2BEDNRBMAPTTP53
SCHEMBL7851611 0.91 GNRHR (0.49) GNRHRADORA2BKMT2AEDNRBMAPT
SCHEMBL7850919 0.89 ADORA2B (0.41) GNRHRADORA2BKMT2AEDNRBMAPT
SCHEMBL7857100 0.84 GNRHR (0.55) GNRHRADORA2BKMT2AEDNRBMAPT
SCHEMBL7849577 0.84 EDNRB (0.46) GNRHRADORA2BKMT2AEDNRBTP53
SCHEMBL7850957 0.83 ADORA2B (0.43) GNRHRADORA2BKMT2AEDNRBTP53
SCHEMBL9285437 0.82 ADORA2B (0.41) GNRHRADORA2BKMT2AEDNRBTP53
SCHEMBL7851987 0.81 ADORA2B (0.40) GNRHRADORA2BKMT2AEDNRBMAPT
SCHEMBL7854155 0.81 ADORA2B (0.42) GNRHRADORA2BKMT2AEDNRBMAPT
SCHEMBL7852076 0.80 GNRHR (0.44) GNRHRADORA2BKMT2ATP53POLB

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