SCHEMBL7852099

SCHEMBL7852099

CCOC(=O)Cn1c(=O)c2c(C)c(-c3ccc(O)cc3)sc2n(Cc2ccccc2OC)c1=O

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 8/20 0.52
ADORA2B P29275 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 2/20 0.40
MTOR P42345 1/20 0.40
MAPK1 P28482 1/20 0.40
TP53 P04637 2/20 0.39
MAPT P10636 2/20 0.39
POLB P06746 2/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MIF P14174 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
SCHEMBL7857100 0.92 GNRHR (0.55) GNRHRADORA2BMEN1KMT2AALDH1A1
SCHEMBL7592330 0.87 MEN1 (0.40) GNRHRADORA2BMEN1KMT2AALDH1A1
SCHEMBL7841825 0.85 GNRHR (0.51) GNRHRMEN1KMT2AALDH1A1TP53
SCHEMBL7851652 0.84 GNRHR (0.51) GNRHRADORA2BMEN1KMT2ATP53
SCHEMBL7841358 0.84 GNRHR (0.46) GNRHRMEN1KMT2AALDH1A1MAPK1
SCHEMBL7850711 0.84 GNRHR (0.50) GNRHR
SCHEMBL7850471 0.82 GNRHR (0.48) GNRHRADORA2BMEN1KMT2AALDH1A1
SCHEMBL7597400 0.82 GNRHR (0.48) GNRHRADORA2BMEN1KMT2AALDH1A1
SCHEMBL7842945 0.82 GNRHR (0.51) GNRHR
SCHEMBL7851919 0.82 MAPT (0.43) GNRHRMEN1KMT2AALDH1A1MAPK1

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