SCHEMBL7594585

SCHEMBL7594585

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

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 3/20 0.41
ADORA2B P29275 2/20 0.40
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
ALDH1A1 P00352 3/20 0.36
TP53 P04637 2/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
EDNRB P24530 1/20 0.36
TRPC5 Q9UL62 1/20 0.34
MAPT P10636 1/20 0.34
KDM4E B2RXH2 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL7597400 0.92 GNRHR (0.48) GNRHRADORA2BMEN1KMT2AALDH1A1
SCHEMBL7850957 0.91 ADORA2B (0.43) GNRHRADORA2BMEN1KMT2ATP53
SCHEMBL7591456 0.91 GNRHR (0.36) GNRHRMEN1KMT2AALDH1A1TP53
SCHEMBL7592330 0.89 MEN1 (0.40) GNRHRADORA2BMEN1KMT2AALDH1A1
SCHEMBL7851488 0.88 MEN1 (0.40) GNRHRADORA2BMEN1KMT2AALDH1A1
SCHEMBL7854741 0.88 ADORA2B (0.49) ADORA2BMEN1KMT2ATP53
SCHEMBL7593195 0.87 GNRHR (0.37) GNRHRMEN1KMT2AALDH1A1LMNA
SCHEMBL7592912 0.87 GNRHR (0.37) GNRHRMEN1KMT2AALDH1A1LMNA
SCHEMBL7854900 0.86 MEN1 (0.38) GNRHRADORA2BMEN1KMT2AALDH1A1
SCHEMBL7851368 0.86 MEN1 (0.39) GNRHRADORA2BMEN1KMT2AALDH1A1

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