SCHEMBL7597705

SCHEMBL7597705

CCOC(=O)Cn1c(=O)c2c(CNS(C)(=O)=O)c(-c3ccc(O)cc3)sc2n(Cc2ccccc2SC)c1=O

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
GNRHR P30968 8/20 0.35
ALDH1A1 P00352 4/20 0.34
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TP53 P04637 2/20 0.33
POLB P06746 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
MAPT P10636 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL7596779 0.93 GNRHR (0.43) MEN1KMT2AGNRHR
SCHEMBL7598723 0.91 GNRHR (0.36) MEN1KMT2AGNRHRALDH1A1LMNA
SCHEMBL7593455 0.91 GNRHR (0.36) MEN1KMT2AGNRHRALDH1A1LMNA
SCHEMBL7591160 0.90 ADORA2B (0.37) MEN1KMT2AGNRHRALDH1A1TP53
SCHEMBL7597312 0.90 MEN1 (0.36) MEN1KMT2AGNRHRALDH1A1LMNA
SCHEMBL7592912 0.90 GNRHR (0.37) MEN1KMT2AGNRHRALDH1A1LMNA
SCHEMBL7597198 0.90 NPSR1 (0.37) MEN1KMT2AGNRHRALDH1A1LMNA
SCHEMBL7594581 0.89 GNRHR (0.35) MEN1KMT2AGNRHRALDH1A1LMNA
SCHEMBL7592330 0.86 MEN1 (0.40) MEN1KMT2AGNRHRALDH1A1LMNA
SCHEMBL7598726 0.85 L3MBTL1 (0.37) MEN1KMT2AGNRHRALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0846119-B1 THIENOPYRIMIDINE DERIVATIVES, THEIR PRODUCTION AND USE AS ENDOTHELIN ANTAGONISTS TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2002-11-13 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