SCHEMBL7598751

SCHEMBL7598751

CCCS(=O)(=O)NCc1c(-c2ccc(OCOC)cc2)sc2c1c(=O)n(CC(=O)OCC)c(=O)n2Cc1ccccc1SC

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 13/20 0.36
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
EDNRB P24530 1/20 0.31
ALDH1A1 P00352 2/20 0.31
LMNA P02545 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
KCNH2 Q12809 1/20 0.30
TP53 P04637 1/20 0.30

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
SCHEMBL7593195 0.95 GNRHR (0.37) GNRHRMEN1KMT2AEDNRBALDH1A1
SCHEMBL8186567 0.93 GNRHR (0.35) GNRHRKMT2AEDNRBKCNH2
SCHEMBL7592912 0.93 GNRHR (0.37) GNRHRMEN1KMT2AEDNRBALDH1A1
SCHEMBL7594085 0.91 GNRHR (0.36) GNRHRMEN1KMT2AEDNRBALDH1A1
SCHEMBL7591509 0.91 GNRHR (0.37) GNRHRMEN1KMT2AEDNRBALDH1A1
SCHEMBL7594584 0.90 GNRHR (0.36) GNRHRMEN1KMT2AEDNRBALDH1A1
SCHEMBL7598726 0.90 L3MBTL1 (0.37) GNRHRMEN1KMT2AEDNRBALDH1A1
SCHEMBL804312 0.88 GNRHR (0.36) GNRHRKMT2AEDNRBKCNH2
SCHEMBL7591456 0.87 GNRHR (0.36) GNRHRMEN1KMT2AEDNRBALDH1A1
SCHEMBL7598723 0.87 GNRHR (0.36) GNRHRMEN1KMT2AALDH1A1LMNA

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 1 patent. 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