SCHEMBL7854243

SCHEMBL7854243

CCOC(=O)Cn1c(=O)c2c(C)c(-c3ccc(OC)cc3)sc2n(Cc2ccccc2S(C)(=O)=O)c1=O

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 11/20 0.47
ADORA2B P29275 2/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TP53 P04637 2/20 0.40
POLB P06746 2/20 0.40
ALDH1A1 P00352 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
SCHEMBL7851652 0.88 GNRHR (0.51) GNRHRADORA2BMEN1KMT2ATP53
SCHEMBL7597400 0.86 GNRHR (0.48) GNRHRADORA2BMEN1KMT2ATP53
SCHEMBL7850471 0.86 GNRHR (0.48) GNRHRADORA2BMEN1KMT2ATP53
SCHEMBL7841825 0.84 GNRHR (0.51) GNRHRMEN1KMT2ATP53POLB
SCHEMBL7857100 0.84 GNRHR (0.55) GNRHRADORA2BMEN1KMT2ATP53
SCHEMBL7852099 0.82 GNRHR (0.52) GNRHRADORA2BMEN1KMT2ATP53
SCHEMBL8230062 0.79 GNRHR (0.40) GNRHRMEN1KMT2A
SCHEMBL7594585 0.79 GNRHR (0.41) GNRHRADORA2BMEN1KMT2ATP53
SCHEMBL7851368 0.79 MEN1 (0.39) GNRHRADORA2BMEN1KMT2ATP53
SCHEMBL7595052 0.78 GNRHR (0.54) GNRHRMEN1KMT2A

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