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SCHEMBL7591160

SCHEMBL7591160

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

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ADORA2B P29275 9/20 0.37
▸ GNRHR P30968 7/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ TP53 P04637 1/20 0.32

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
SCHEMBL7593479 0.92 ADORA2B (0.39) ADORA2BGNRHRKMT2AALDH1A1NPSR1
SCHEMBL7596779 0.90 GNRHR (0.43) GNRHRMEN1KMT2A
SCHEMBL7597705 0.90 MEN1 (0.37) GNRHRMEN1KMT2AALDH1A1TP53
SCHEMBL7592912 0.89 GNRHR (0.37) GNRHRMEN1KMT2AALDH1A1
SCHEMBL7591161 0.89 ADORA2B (0.40) ADORA2BGNRHRMEN1KMT2AALDH1A1
SCHEMBL7593455 0.89 GNRHR (0.36) GNRHRMEN1KMT2AALDH1A1NPSR1
SCHEMBL7598723 0.89 GNRHR (0.36) GNRHRMEN1KMT2AALDH1A1NPSR1
SCHEMBL7854741 0.87 ADORA2B (0.49) ADORA2BMEN1KMT2ATP53
SCHEMBL7597312 0.87 MEN1 (0.36) ADORA2BGNRHRMEN1KMT2AALDH1A1
SCHEMBL7597198 0.86 NPSR1 (0.37) GNRHRMEN1KMT2AALDH1A1NPSR1

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